TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine (CAS 150450-42-3) is a chemical compound with molecular formula C17H15N3O3 and molecular weight 309.11133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-amine
Also Known As: MBMQ, HSCI1_000355, N-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-amine, N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine, N-(Benzo[d][1,3]dioxol-5-ylmethyl)-6-methoxyquinazolin-4-amine
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H15N3O3 |
| Molecular Weight | 309.11133 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.11133 Da |
| Heavy Atoms | 23 |
| Complexity | 397.0 |
| SMILES | COC1=CC2=C(C=C1)N=CN=C2NCC3=CC4=C(C=C3)OCO4 |
| InChIKey | GZQGUYVURISNFJ-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine is 150450-42-3.
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine is C17H15N3O3.
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine is 309.11133 g/mol.
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