6H-quinazolin-4-one

C8H6N2O — CID 165178648

IUPAC6H-quinazolin-4-one
SMILESO=C1N=CN=C2C=CCC=C12
InChIInChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h2-5H,1H2
InChIKeyORAPHGUFIYURMR-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.88
Rot. Bonds

About 6H-quinazolin-4-one

6H-quinazolin-4-one (PubChem CID 165178648) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 6H-quinazolin-4-one.

Molecular Properties

Compound Name6H-quinazolin-4-one
PubChem CID165178648
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name6H-quinazolin-4-one
SMILESO=C1N=CN=C2C=CCC=C12
InChIInChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h2-5H,1H2
InChIKeyORAPHGUFIYURMR-UHFFFAOYSA-N
XLogP0.88
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6H-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
Pyrazolo[4,3-f]quinazolin-9-one
CID 129732351
2-chloro-6-fluoro-6H-quinazolin-4-one
CID 71302510
6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one
CID 71303963
6-fluoro-6H-quinazolin-4-one
CID 71303964
6-fluoro-2-methyl-6H-quinazolin-4-one
CID 75210775
2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one
CID 76831073
8-fluoro-8H-quinazolin-4-one
CID 76845720
5,6-difluoro-6H-quinazolin-4-one
CID 78166508
6-bromo-5-fluoro-6H-quinazolin-4-one
CID 178189768

Frequently Asked Questions

What is the IUPAC name of 6H-quinazolin-4-one?
The IUPAC name of 6H-quinazolin-4-one (CID 165178648) is 6H-quinazolin-4-one.
What is the SMILES notation for 6H-quinazolin-4-one?
The canonical SMILES for 6H-quinazolin-4-one is O=C1N=CN=C2C=CCC=C12.
What is the InChIKey of 6H-quinazolin-4-one?
The InChIKey is ORAPHGUFIYURMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h2-5H,1H2.
What are the key properties of 6H-quinazolin-4-one?
6H-quinazolin-4-one has a molecular weight of 146.15 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-quinazolin-4-one is sourced from PubChem (CID 165178648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).