6-acetyl-2-phenyl-3H-quinazolin-4-one

C16H12N2O2 — CID 137082893

IUPAC6-acetyl-2-phenyl-3H-quinazolin-4-one
SMILESCC(=O)c1ccc2nc(-c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C16H12N2O2/c1-10(19)12-7-8-14-13(9-12)16(20)18-15(17-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18,20)
InChIKeyJCVIVHCAGPUONU-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.79
Rot. Bonds2

About 6-acetyl-2-phenyl-3H-quinazolin-4-one

6-acetyl-2-phenyl-3H-quinazolin-4-one (PubChem CID 137082893) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-acetyl-2-phenyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-acetyl-2-phenyl-3H-quinazolin-4-one
PubChem CID137082893
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name6-acetyl-2-phenyl-3H-quinazolin-4-one
SMILESCC(=O)c1ccc2nc(-c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C16H12N2O2/c1-10(19)12-7-8-14-13(9-12)16(20)18-15(17-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18,20)
InChIKeyJCVIVHCAGPUONU-UHFFFAOYSA-N
XLogP2.79
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one
CID 135999605
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one
CID 137014833
2-phenyl-6-propan-2-yl-3H-quinazolin-4-one
CID 176911970
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323
6-phenoxy-2-phenyl-3H-quinazolin-4-one
CID 166196696
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
methyl 3-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]benzoate
CID 168552709
actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 135999600
5,13-diphenyl-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9,13-pentaene-7,11-dione
CID 135869738
1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 82303742

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-phenyl-3H-quinazolin-4-one?
The IUPAC name of 6-acetyl-2-phenyl-3H-quinazolin-4-one (CID 137082893) is 6-acetyl-2-phenyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-acetyl-2-phenyl-3H-quinazolin-4-one?
The canonical SMILES for 6-acetyl-2-phenyl-3H-quinazolin-4-one is CC(=O)c1ccc2nc(-c3ccccc3)[nH]c(=O)c2c1.
What is the InChIKey of 6-acetyl-2-phenyl-3H-quinazolin-4-one?
The InChIKey is JCVIVHCAGPUONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-10(19)12-7-8-14-13(9-12)16(20)18-15(17-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18,20).
What are the key properties of 6-acetyl-2-phenyl-3H-quinazolin-4-one?
6-acetyl-2-phenyl-3H-quinazolin-4-one has a molecular weight of 264.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-phenyl-3H-quinazolin-4-one is sourced from PubChem (CID 137082893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).