5,8-difluoro-2-methyl-8H-quinazolin-4-one

C9H6F2N2O — CID 73414900

IUPAC5,8-difluoro-2-methyl-8H-quinazolin-4-one
SMILESCC1=NC(=O)C2=C(F)C=CC(F)C2=N1
InChIInChI=1S/C9H6F2N2O/c1-4-12-8-6(11)3-2-5(10)7(8)9(14)13-4/h2-3,6H,1H3
InChIKeyRKLVKHQTHBRFSD-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.52
Rot. Bonds

About 5,8-difluoro-2-methyl-8H-quinazolin-4-one

5,8-difluoro-2-methyl-8H-quinazolin-4-one (PubChem CID 73414900) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 5,8-difluoro-2-methyl-8H-quinazolin-4-one.

Molecular Properties

Compound Name5,8-difluoro-2-methyl-8H-quinazolin-4-one
PubChem CID73414900
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name5,8-difluoro-2-methyl-8H-quinazolin-4-one
SMILESCC1=NC(=O)C2=C(F)C=CC(F)C2=N1
InChIInChI=1S/C9H6F2N2O/c1-4-12-8-6(11)3-2-5(10)7(8)9(14)13-4/h2-3,6H,1H3
InChIKeyRKLVKHQTHBRFSD-UHFFFAOYSA-N
XLogP1.52
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-8H-quinazolin-4-one
CID 90734363
5-methyl-2-(trifluoromethyl)-4aH-quinazolin-4-one
CID 73866466
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
5-bromo-8-fluoro-8H-quinazolin-4-one
CID 138059215
8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one
CID 146674855
8-Methylidenequinazolin-4-one
CID 71304104
8-(Oxomethylidene)quinazolin-4-one
CID 74659851
2-Methylquinazoline-4,8-dione
CID 75017403
2-(8-Methylidene-4-oxoquinazolin-2-yl)acetonitrile
CID 78221860

Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-2-methyl-8H-quinazolin-4-one?
The IUPAC name of 5,8-difluoro-2-methyl-8H-quinazolin-4-one (CID 73414900) is 5,8-difluoro-2-methyl-8H-quinazolin-4-one.
What is the SMILES notation for 5,8-difluoro-2-methyl-8H-quinazolin-4-one?
The canonical SMILES for 5,8-difluoro-2-methyl-8H-quinazolin-4-one is CC1=NC(=O)C2=C(F)C=CC(F)C2=N1.
What is the InChIKey of 5,8-difluoro-2-methyl-8H-quinazolin-4-one?
The InChIKey is RKLVKHQTHBRFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c1-4-12-8-6(11)3-2-5(10)7(8)9(14)13-4/h2-3,6H,1H3.
What are the key properties of 5,8-difluoro-2-methyl-8H-quinazolin-4-one?
5,8-difluoro-2-methyl-8H-quinazolin-4-one has a molecular weight of 196.16 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-2-methyl-8H-quinazolin-4-one is sourced from PubChem (CID 73414900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).