2-(4-fluorophenyl)-4aH-quinazolin-4-one

C14H9FN2O — CID 78213954

IUPAC2-(4-fluorophenyl)-4aH-quinazolin-4-one
SMILESO=C1N=C(c2ccc(F)cc2)N=C2C=CC=CC12
InChIInChI=1S/C14H9FN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,11H
InChIKeyRYBBPEOBGCUEAA-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.30
Rot. Bonds1

About 2-(4-fluorophenyl)-4aH-quinazolin-4-one

2-(4-fluorophenyl)-4aH-quinazolin-4-one (PubChem CID 78213954) has the molecular formula C14H9FN2O and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4aH-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4aH-quinazolin-4-one
PubChem CID78213954
Molecular FormulaC14H9FN2O
Molecular Weight240.24 g/mol
Exact Mass240.07
IUPAC Name2-(4-fluorophenyl)-4aH-quinazolin-4-one
SMILESO=C1N=C(c2ccc(F)cc2)N=C2C=CC=CC12
InChIInChI=1S/C14H9FN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,11H
InChIKeyRYBBPEOBGCUEAA-UHFFFAOYSA-N
XLogP2.30
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-8aH-phthalazin-1-one
CID 138059284
4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-4aH-quinolin-2-one
CID 78563528
(3Z)-1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxo-4aH-quinazolin-4-ylidene]urea
CID 178186651
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
3-[(4-fluorophenyl)methyl]-3H-imidazo[1,2-a]pyridin-2-one
CID 67145123
3-piperidin-4-yl-2-sulfanylidene-4aH-quinazolin-4-one
CID 167998346
2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one
CID 56622162
1-fluoro-4-(4-fluorophenyl)benzene;formaldehyde
CID 175463820
2-[(4-oxo-4aH-quinazolin-2-yl)methylsulfanyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 74586369
3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one
CID 165377857
2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole
CID 53422957
3-(4-fluorophenyl)-1,4,2-dioxazole-5-carbaldehyde
CID 175121706

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4aH-quinazolin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-4aH-quinazolin-4-one (CID 78213954) is 2-(4-fluorophenyl)-4aH-quinazolin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4aH-quinazolin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-4aH-quinazolin-4-one is O=C1N=C(c2ccc(F)cc2)N=C2C=CC=CC12.
What is the InChIKey of 2-(4-fluorophenyl)-4aH-quinazolin-4-one?
The InChIKey is RYBBPEOBGCUEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,11H.
What are the key properties of 2-(4-fluorophenyl)-4aH-quinazolin-4-one?
2-(4-fluorophenyl)-4aH-quinazolin-4-one has a molecular weight of 240.24 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4aH-quinazolin-4-one is sourced from PubChem (CID 78213954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).