6-(3-methylphenyl)-1H-quinazolin-2-one

C15H12N2O — CID 123895489

IUPAC6-(3-methylphenyl)-1H-quinazolin-2-one
SMILESCc1cccc(-c2ccc3[nH]c(=O)ncc3c2)c1
InChIInChI=1S/C15H12N2O/c1-10-3-2-4-11(7-10)12-5-6-14-13(8-12)9-16-15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKeyLNEWIFLQHJFVEE-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.90
Rot. Bonds1

About 6-(3-methylphenyl)-1H-quinazolin-2-one

6-(3-methylphenyl)-1H-quinazolin-2-one (PubChem CID 123895489) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(3-methylphenyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-(3-methylphenyl)-1H-quinazolin-2-one
PubChem CID123895489
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name6-(3-methylphenyl)-1H-quinazolin-2-one
SMILESCc1cccc(-c2ccc3[nH]c(=O)ncc3c2)c1
InChIInChI=1S/C15H12N2O/c1-10-3-2-4-11(7-10)12-5-6-14-13(8-12)9-16-15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKeyLNEWIFLQHJFVEE-UHFFFAOYSA-N
XLogP2.90
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(3-methylphenyl)-1H-quinazolin-2-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-(3-methylphenyl)-1H-quinazolin-2-one?
The IUPAC name of 6-(3-methylphenyl)-1H-quinazolin-2-one (CID 123895489) is 6-(3-methylphenyl)-1H-quinazolin-2-one.
What is the SMILES notation for 6-(3-methylphenyl)-1H-quinazolin-2-one?
The canonical SMILES for 6-(3-methylphenyl)-1H-quinazolin-2-one is Cc1cccc(-c2ccc3[nH]c(=O)ncc3c2)c1.
What is the InChIKey of 6-(3-methylphenyl)-1H-quinazolin-2-one?
The InChIKey is LNEWIFLQHJFVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-3-2-4-11(7-10)12-5-6-14-13(8-12)9-16-15(18)17-14/h2-9H,1H3,(H,16,17,18).
What are the key properties of 6-(3-methylphenyl)-1H-quinazolin-2-one?
6-(3-methylphenyl)-1H-quinazolin-2-one has a molecular weight of 236.27 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-1H-quinazolin-2-one is sourced from PubChem (CID 123895489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).