2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one

C16H14FN3O — CID 123570172

IUPAC2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one
SMILESCc1ccc2nc(N)n(-c3ccc(F)cc3C)c(=O)c2c1
InChIInChI=1S/C16H14FN3O/c1-9-3-5-13-12(7-9)15(21)20(16(18)19-13)14-6-4-11(17)8-10(14)2/h3-8H,1-2H3,(H2,18,19)
InChIKeyZIVIBEWLYZNJJK-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.72
Rot. Bonds1

About 2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one

2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one (PubChem CID 123570172) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one.

Molecular Properties

Compound Name2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one
PubChem CID123570172
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one
SMILESCc1ccc2nc(N)n(-c3ccc(F)cc3C)c(=O)c2c1
InChIInChI=1S/C16H14FN3O/c1-9-3-5-13-12(7-9)15(21)20(16(18)19-13)14-6-4-11(17)8-10(14)2/h3-8H,1-2H3,(H2,18,19)
InChIKeyZIVIBEWLYZNJJK-UHFFFAOYSA-N
XLogP2.72
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-fluoro-4-methylphenyl)-6-iodoquinazolin-4-one
CID 67982009
2-amino-3,6-dimethylquinazolin-4-one;ethane
CID 155705578
3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 171649552
2-amino-1-(2,4-dimethylphenyl)-7H-purin-6-one
CID 123912992
5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide
CID 86578332
1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine
CID 107637274
3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one
CID 134427569
2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one
CID 69101971
1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine
CID 82766861
3-(2,4-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethylsulfanyl]quinazolin-4-one
CID 7843936
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 79049822

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one?
The IUPAC name of 2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one (CID 123570172) is 2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one.
What is the SMILES notation for 2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one?
The canonical SMILES for 2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one is Cc1ccc2nc(N)n(-c3ccc(F)cc3C)c(=O)c2c1.
What is the InChIKey of 2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one?
The InChIKey is ZIVIBEWLYZNJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-9-3-5-13-12(7-9)15(21)20(16(18)19-13)14-6-4-11(17)8-10(14)2/h3-8H,1-2H3,(H2,18,19).
What are the key properties of 2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one?
2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one has a molecular weight of 283.31 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one is sourced from PubChem (CID 123570172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).