8-methylidenequinazolin-4-one

C9H6N2O — CID 71304104

IUPAC8-methylidenequinazolin-4-one
SMILESC=c1cccc2c1=NC=NC2=O
InChIInChI=1S/C9H6N2O/c1-6-3-2-4-7-8(6)10-5-11-9(7)12/h2-5H,1H2
InChIKeyCKSCAXOZQBCQJI-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.10
Rot. Bonds

About 8-methylidenequinazolin-4-one

8-methylidenequinazolin-4-one (PubChem CID 71304104) has the molecular formula C9H6N2O and a molecular weight of 158.16 g/mol. Its IUPAC name is 8-methylidenequinazolin-4-one.

Molecular Properties

Compound Name8-methylidenequinazolin-4-one
PubChem CID71304104
Molecular FormulaC9H6N2O
Molecular Weight158.16 g/mol
Exact Mass158.05
IUPAC Name8-methylidenequinazolin-4-one
SMILESC=c1cccc2c1=NC=NC2=O
InChIInChI=1S/C9H6N2O/c1-6-3-2-4-7-8(6)10-5-11-9(7)12/h2-5H,1H2
InChIKeyCKSCAXOZQBCQJI-UHFFFAOYSA-N
XLogP-0.10
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-methylidenequinazolin-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

Quinazolin-8(4h)-one
CID 88162307
6-fluoro-8H-quinazolin-4-one
CID 90734363
7-fluoro-6H-quinazolin-4-one
CID 90958016
6-fluoro-6H-quinazolin-4-one
CID 71303964
5,8-difluoro-2-methyl-8H-quinazolin-4-one
CID 73414900
8-fluoro-8H-quinazolin-4-one
CID 76845720
8-bromo-6-fluoro-8H-quinazolin-4-one
CID 77250427
5-bromo-8-fluoro-8H-quinazolin-4-one
CID 138059215
Cyclopenta[d]pyrimidin-4-one
CID 18919296
Quinazoline-4,8-dione
CID 67262045
Pyrido[4,3-g]quinazoline-4,9-dione
CID 68415096
2,9-Diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
CID 85436629

Frequently Asked Questions

What is the IUPAC name of 8-methylidenequinazolin-4-one?
The IUPAC name of 8-methylidenequinazolin-4-one (CID 71304104) is 8-methylidenequinazolin-4-one.
What is the SMILES notation for 8-methylidenequinazolin-4-one?
The canonical SMILES for 8-methylidenequinazolin-4-one is C=c1cccc2c1=NC=NC2=O.
What is the InChIKey of 8-methylidenequinazolin-4-one?
The InChIKey is CKSCAXOZQBCQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O/c1-6-3-2-4-7-8(6)10-5-11-9(7)12/h2-5H,1H2.
What are the key properties of 8-methylidenequinazolin-4-one?
8-methylidenequinazolin-4-one has a molecular weight of 158.16 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylidenequinazolin-4-one is sourced from PubChem (CID 71304104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).