![4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile structure](/static/products/150/150450-61-6.webp)
4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile
TL;DR: 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile (CAS 150450-61-6) is a chemical compound with molecular formula C17H12N4O2 and molecular weight 304.09604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,3-benzodioxol-5-ylmethylamino)quinazoline-6-carbonitrile
Also Known As: 4-(3,4-Methylenedioxybenzyl)amino-6-cyanoquinazoline, 4-(benzo[1,3]dioxol-5-ylmethylamino)quinazoline-6-carbonitrile, 4-[(1,3-benzodioxol-5-ylmethyl)amino]-6-quinazolinecarbonitrile, 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile, 4-[[(1,3-Benzodioxol-5-yl)methyl]amino]quinazoline-6-carbonitrile
Technical Specifications
| Molecular Formula | C17H12N4O2 |
| Molecular Weight | 304.09604 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 80.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.09604 Da |
| Heavy Atoms | 23 |
| Complexity | 465.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3C=C(C=C4)C#N |
| InChIKey | WUNFRAAMBTVEBT-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile
Property Insights of 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile. Following Lipinski's Rule of Five, 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile?
The CAS number of 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile is 150450-61-6.
What is the molecular formula of 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile?
The molecular formula of 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile is C17H12N4O2.
What is the molecular weight of 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile?
The molecular weight of 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile is 304.09604 g/mol.
Where can I buy 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile?
You can request a quote for 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.