TL;DR: 6,7-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine (CAS 153437-80-0) is a chemical compound with molecular formula C16H14N4O4 and molecular weight 326.1015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine
Also Known As: 6,7-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine, J2.003.559E, N-(3-Nitrophenyl)-6,7-dimethoxyquinazoline-4-amine
| Molecular Formula | C16H14N4O4 |
| Molecular Weight | 326.1015 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.1015 Da |
| Heavy Atoms | 24 |
| Complexity | 433.0 |
| SMILES | COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-])OC |
| InChIKey | QYXLGBIMSTYMHA-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 6,7-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine. Following Lipinski's Rule of Five, 6,7-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6,7-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine is 153437-80-0.
The molecular formula of 6,7-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine is C16H14N4O4.
The molecular weight of 6,7-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine is 326.1015 g/mol.
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