8-(oxomethylidene)quinazolin-4-one

C9H4N2O2 — CID 74659851

IUPAC8-(oxomethylidene)quinazolin-4-one
SMILESO=C=c1cccc2c1=NC=NC2=O
InChIInChI=1S/C9H4N2O2/c12-4-6-2-1-3-7-8(6)10-5-11-9(7)13/h1-3,5H
InChIKeyRCRQXAJBQSOKHF-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.01
Rot. Bonds

About 8-(oxomethylidene)quinazolin-4-one

8-(oxomethylidene)quinazolin-4-one (PubChem CID 74659851) has the molecular formula C9H4N2O2 and a molecular weight of 172.14 g/mol. Its IUPAC name is 8-(oxomethylidene)quinazolin-4-one.

Molecular Properties

Compound Name8-(oxomethylidene)quinazolin-4-one
PubChem CID74659851
Molecular FormulaC9H4N2O2
Molecular Weight172.14 g/mol
Exact Mass172.03
IUPAC Name8-(oxomethylidene)quinazolin-4-one
SMILESO=C=c1cccc2c1=NC=NC2=O
InChIInChI=1S/C9H4N2O2/c12-4-6-2-1-3-7-8(6)10-5-11-9(7)13/h1-3,5H
InChIKeyRCRQXAJBQSOKHF-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

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Related Compounds

Quinazolin-8(4h)-one
CID 88162307
6-fluoro-8H-quinazolin-4-one
CID 90734363
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
5-bromo-8-fluoro-8H-quinazolin-4-one
CID 138059215
Quinazoline-4,6-dione
CID 54272177
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
6-chloro-8H-quinazolin-4-one
CID 91196558
Cyclohepta[d]pyrimidin-4-one
CID 91235065

Frequently Asked Questions

What is the IUPAC name of 8-(oxomethylidene)quinazolin-4-one?
The IUPAC name of 8-(oxomethylidene)quinazolin-4-one (CID 74659851) is 8-(oxomethylidene)quinazolin-4-one.
What is the SMILES notation for 8-(oxomethylidene)quinazolin-4-one?
The canonical SMILES for 8-(oxomethylidene)quinazolin-4-one is O=C=c1cccc2c1=NC=NC2=O.
What is the InChIKey of 8-(oxomethylidene)quinazolin-4-one?
The InChIKey is RCRQXAJBQSOKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4N2O2/c12-4-6-2-1-3-7-8(6)10-5-11-9(7)13/h1-3,5H.
What are the key properties of 8-(oxomethylidene)quinazolin-4-one?
8-(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 8-(oxomethylidene)quinazolin-4-one is sourced from PubChem (CID 74659851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).