6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one

C17H13FN2O2 — CID 20732838

IUPAC6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
SMILESCC(=O)c1ccc2ncn(Cc3ccc(F)cc3)c(=O)c2c1
InChIInChI=1S/C17H13FN2O2/c1-11(21)13-4-7-16-15(8-13)17(22)20(10-19-16)9-12-2-5-14(18)6-3-12/h2-8,10H,9H2,1H3
InChIKeyHMDSEYCQUCSHCC-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.79
Rot. Bonds3

About 6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one

6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one (PubChem CID 20732838) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
PubChem CID20732838
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
SMILESCC(=O)c1ccc2ncn(Cc3ccc(F)cc3)c(=O)c2c1
InChIInChI=1S/C17H13FN2O2/c1-11(21)13-4-7-16-15(8-13)17(22)20(10-19-16)9-12-2-5-14(18)6-3-12/h2-8,10H,9H2,1H3
InChIKeyHMDSEYCQUCSHCC-UHFFFAOYSA-N
XLogP2.79
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one?
The IUPAC name of 6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one (CID 20732838) is 6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one is CC(=O)c1ccc2ncn(Cc3ccc(F)cc3)c(=O)c2c1.
What is the InChIKey of 6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one?
The InChIKey is HMDSEYCQUCSHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-11(21)13-4-7-16-15(8-13)17(22)20(10-19-16)9-12-2-5-14(18)6-3-12/h2-8,10H,9H2,1H3.
What are the key properties of 6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one?
6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one has a molecular weight of 296.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 20732838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).