3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one

C18H15FN2O2 — CID 1462732

IUPAC3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one
SMILESCC(C)c1nc2ccccc2c(=O)n1C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c1-11(2)16-20-15-6-4-3-5-14(15)18(23)21(16)17(22)12-7-9-13(19)10-8-12/h3-11H,1-2H3
InChIKeyORUKGRDMCMLTEE-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.35
Rot. Bonds2

About 3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one

3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one (PubChem CID 1462732) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one
PubChem CID1462732
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one
SMILESCC(C)c1nc2ccccc2c(=O)n1C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c1-11(2)16-20-15-6-4-3-5-14(15)18(23)21(16)17(22)12-7-9-13(19)10-8-12/h3-11H,1-2H3
InChIKeyORUKGRDMCMLTEE-UHFFFAOYSA-N
XLogP3.35
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
3-ethyl-2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 7876084
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-4-fluoro-N-propylbenzamide
CID 42712056
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(4-propan-2-ylphenyl)quinazolin-4-one
CID 2360521
carbazol-9-yl-(4-fluorophenyl)methanone
CID 8852543
3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8981095
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-4-fluoro-N-(2-methylpropyl)benzamide
CID 42715967
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-fluorobenzoate
CID 135583391
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one
CID 7465822
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N,3-dimethylbutanamide
CID 42716375
CID 164840749
CID 164840749
2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide
CID 16723037

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one?
The IUPAC name of 3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one (CID 1462732) is 3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one?
The canonical SMILES for 3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one is CC(C)c1nc2ccccc2c(=O)n1C(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one?
The InChIKey is ORUKGRDMCMLTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11(2)16-20-15-6-4-3-5-14(15)18(23)21(16)17(22)12-7-9-13(19)10-8-12/h3-11H,1-2H3.
What are the key properties of 3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one?
3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one has a molecular weight of 310.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 1462732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).