3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one

C18H17FN2O — CID 134427569

IUPAC3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one
SMILESCc1ccc2nc(C(C)C)n(-c3cccc(F)c3)c(=O)c2c1
InChIInChI=1S/C18H17FN2O/c1-11(2)17-20-16-8-7-12(3)9-15(16)18(22)21(17)14-6-4-5-13(19)10-14/h4-11H,1-3H3
InChIKeyTWPMFWZNQXQKJR-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.96
Rot. Bonds2

About 3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one

3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one (PubChem CID 134427569) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one
PubChem CID134427569
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one
SMILESCc1ccc2nc(C(C)C)n(-c3cccc(F)c3)c(=O)c2c1
InChIInChI=1S/C18H17FN2O/c1-11(2)17-20-16-8-7-12(3)9-15(16)18(22)21(17)14-6-4-5-13(19)10-14/h4-11H,1-3H3
InChIKeyTWPMFWZNQXQKJR-UHFFFAOYSA-N
XLogP3.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-aminopropyl]-6-fluoro-3-(3-fluorophenyl)quinazolin-4-one
CID 90235392
3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione
CID 11747669
3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 172568153
6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 134118287
7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one
CID 53402974
2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one
CID 90235944
5-methyl-1-phenyl-2-propan-2-ylbenzimidazole
CID 70987216
N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
CID 42715400
5-chloro-3-(3-fluorophenyl)-2-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 134433516
2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one
CID 123570172
3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717578
[1-[5-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]-3-methylbutyl]carbamic acid
CID 90235469

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one?
The IUPAC name of 3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one (CID 134427569) is 3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one?
The canonical SMILES for 3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one is Cc1ccc2nc(C(C)C)n(-c3cccc(F)c3)c(=O)c2c1.
What is the InChIKey of 3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one?
The InChIKey is TWPMFWZNQXQKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-11(2)17-20-16-8-7-12(3)9-15(16)18(22)21(17)14-6-4-5-13(19)10-14/h4-11H,1-3H3.
What are the key properties of 3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one?
3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one has a molecular weight of 296.35 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 134427569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).