7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one

C19H19ClN2O — CID 162386036

IUPAC7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one
SMILESCCc1nc2cc(Cl)c(C)cc2c(=O)n1-c1c(C)cccc1C
InChIInChI=1S/C19H19ClN2O/c1-5-17-21-16-10-15(20)13(4)9-14(16)19(23)22(17)18-11(2)7-6-8-12(18)3/h6-10H,5H2,1-4H3
InChIKeyOTYWCTJHZOZFOV-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.53
Rot. Bonds2

About 7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one

7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one (PubChem CID 162386036) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one
PubChem CID162386036
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one
SMILESCCc1nc2cc(Cl)c(C)cc2c(=O)n1-c1c(C)cccc1C
InChIInChI=1S/C19H19ClN2O/c1-5-17-21-16-10-15(20)13(4)9-14(16)19(23)22(17)18-11(2)7-6-8-12(18)3/h6-10H,5H2,1-4H3
InChIKeyOTYWCTJHZOZFOV-UHFFFAOYSA-N
XLogP4.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-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 7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one?
The IUPAC name of 7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one (CID 162386036) is 7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one.
What is the SMILES notation for 7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one?
The canonical SMILES for 7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one is CCc1nc2cc(Cl)c(C)cc2c(=O)n1-c1c(C)cccc1C.
What is the InChIKey of 7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one?
The InChIKey is OTYWCTJHZOZFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-5-17-21-16-10-15(20)13(4)9-14(16)19(23)22(17)18-11(2)7-6-8-12(18)3/h6-10H,5H2,1-4H3.
What are the key properties of 7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one?
7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one has a molecular weight of 326.83 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2,6-dimethylphenyl)-2-ethyl-6-methylquinazolin-4-one is sourced from PubChem (CID 162386036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).