6-(oxomethylidene)quinazolin-4-one

C9H4N2O2 — CID 76845397

IUPAC6-(oxomethylidene)quinazolin-4-one
SMILESO=C=c1ccc2c(c1)C(=O)N=CN=2
InChIInChI=1S/C9H4N2O2/c12-4-6-1-2-8-7(3-6)9(13)11-5-10-8/h1-3,5H
InChIKeyUUOINQRURPENHJ-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.01
Rot. Bonds

About 6-(oxomethylidene)quinazolin-4-one

6-(oxomethylidene)quinazolin-4-one (PubChem CID 76845397) has the molecular formula C9H4N2O2 and a molecular weight of 172.14 g/mol. Its IUPAC name is 6-(oxomethylidene)quinazolin-4-one.

Molecular Properties

Compound Name6-(oxomethylidene)quinazolin-4-one
PubChem CID76845397
Molecular FormulaC9H4N2O2
Molecular Weight172.14 g/mol
Exact Mass172.03
IUPAC Name6-(oxomethylidene)quinazolin-4-one
SMILESO=C=c1ccc2c(c1)C(=O)N=CN=2
InChIInChI=1S/C9H4N2O2/c12-4-6-1-2-8-7(3-6)9(13)11-5-10-8/h1-3,5H
InChIKeyUUOINQRURPENHJ-UHFFFAOYSA-N
XLogP-1.01
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(oxomethylidene)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

Related Compounds

Isoindolopyrimidone
CID 129796580
6-fluoro-8H-quinazolin-4-one
CID 90734363
7-fluoro-6H-quinazolin-4-one
CID 90958016
6-fluoro-6H-quinazolin-4-one
CID 71303964
8-fluoro-8H-quinazolin-4-one
CID 76845720
5,6-difluoro-6H-quinazolin-4-one
CID 78166508
Cyclopenta[d]pyrimidin-4-one
CID 18919296
Pyrimido[4,5-g]quinazoline-4,9-dione
CID 20244493
Quinazoline-4,6-dione
CID 54272177
4aH-quinazolin-4-one
CID 57015225
Quinazoline-4,8-dione
CID 67262045
Pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione
CID 67548329

Frequently Asked Questions

What is the IUPAC name of 6-(oxomethylidene)quinazolin-4-one?
The IUPAC name of 6-(oxomethylidene)quinazolin-4-one (CID 76845397) is 6-(oxomethylidene)quinazolin-4-one.
What is the SMILES notation for 6-(oxomethylidene)quinazolin-4-one?
The canonical SMILES for 6-(oxomethylidene)quinazolin-4-one is O=C=c1ccc2c(c1)C(=O)N=CN=2.
What is the InChIKey of 6-(oxomethylidene)quinazolin-4-one?
The InChIKey is UUOINQRURPENHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4N2O2/c12-4-6-1-2-8-7(3-6)9(13)11-5-10-8/h1-3,5H.
What are the key properties of 6-(oxomethylidene)quinazolin-4-one?
6-(oxomethylidene)quinazolin-4-one has a molecular weight of 172.14 g/mol, XLogP of -1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxomethylidene)quinazolin-4-one is sourced from PubChem (CID 76845397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).