6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one

C18H17ClN2O — CID 135433889

IUPAC6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one
SMILESCc1nc2cc(C(C)C)c(-c3ccc(Cl)cc3)cc2c(=O)[nH]1
InChIInChI=1S/C18H17ClN2O/c1-10(2)14-9-17-16(18(22)21-11(3)20-17)8-15(14)12-4-6-13(19)7-5-12/h4-10H,1-3H3,(H,20,21,22)
InChIKeyWZEZOMLPFYFWSQ-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.68
Rot. Bonds2

About 6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one

6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one (PubChem CID 135433889) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one
PubChem CID135433889
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one
SMILESCc1nc2cc(C(C)C)c(-c3ccc(Cl)cc3)cc2c(=O)[nH]1
InChIInChI=1S/C18H17ClN2O/c1-10(2)14-9-17-16(18(22)21-11(3)20-17)8-15(14)12-4-6-13(19)7-5-12/h4-10H,1-3H3,(H,20,21,22)
InChIKeyWZEZOMLPFYFWSQ-UHFFFAOYSA-N
XLogP4.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-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-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one (CID 135433889) is 6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one is Cc1nc2cc(C(C)C)c(-c3ccc(Cl)cc3)cc2c(=O)[nH]1.
What is the InChIKey of 6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one?
The InChIKey is WZEZOMLPFYFWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-10(2)14-9-17-16(18(22)21-11(3)20-17)8-15(14)12-4-6-13(19)7-5-12/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of 6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one?
6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one has a molecular weight of 312.80 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-methyl-7-propan-2-yl-3H-quinazolin-4-one is sourced from PubChem (CID 135433889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).