6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one

C17H16ClN3O2 — CID 43812768

IUPAC6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one
SMILESCOc1ccc(Cn2c(C)nc3cc(Cl)c(N)cc3c2=O)cc1
InChIInChI=1S/C17H16ClN3O2/c1-10-20-16-8-14(18)15(19)7-13(16)17(22)21(10)9-11-3-5-12(23-2)6-4-11/h3-8H,9,19H2,1-2H3
InChIKeyWGFWGSDGRXEGQN-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.00
Rot. Bonds3

About 6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one

6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one (PubChem CID 43812768) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one
PubChem CID43812768
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one
SMILESCOc1ccc(Cn2c(C)nc3cc(Cl)c(N)cc3c2=O)cc1
InChIInChI=1S/C17H16ClN3O2/c1-10-20-16-8-14(18)15(19)7-13(16)17(22)21(10)9-11-3-5-12(23-2)6-4-11/h3-8H,9,19H2,1-2H3
InChIKeyWGFWGSDGRXEGQN-UHFFFAOYSA-N
XLogP3.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one?
The IUPAC name of 6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one (CID 43812768) is 6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one?
The canonical SMILES for 6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one is COc1ccc(Cn2c(C)nc3cc(Cl)c(N)cc3c2=O)cc1.
What is the InChIKey of 6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one?
The InChIKey is WGFWGSDGRXEGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-10-20-16-8-14(18)15(19)7-13(16)17(22)21(10)9-11-3-5-12(23-2)6-4-11/h3-8H,9,19H2,1-2H3.
What are the key properties of 6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one?
6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one has a molecular weight of 329.79 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 43812768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).