3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one

C23H16F4N2O2 — CID 46101950

IUPAC3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one
SMILESCOc1ccc2nc(-c3ccc(F)cc3C(F)(F)F)n(Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C23H16F4N2O2/c1-31-16-8-10-20-18(12-16)22(30)29(13-14-5-3-2-4-6-14)21(28-20)17-9-7-15(24)11-19(17)23(25,26)27/h2-12H,13H2,1H3
InChIKeyGCCCLPBPPIASNG-UHFFFAOYSA-N
MW428.39 g/mol
LogP5.28
Rot. Bonds4

About 3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one

3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one (PubChem CID 46101950) has the molecular formula C23H16F4N2O2 and a molecular weight of 428.39 g/mol. Its IUPAC name is 3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one
PubChem CID46101950
Molecular FormulaC23H16F4N2O2
Molecular Weight428.39 g/mol
Exact Mass428.11
IUPAC Name3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one
SMILESCOc1ccc2nc(-c3ccc(F)cc3C(F)(F)F)n(Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C23H16F4N2O2/c1-31-16-8-10-20-18(12-16)22(30)29(13-14-5-3-2-4-6-14)21(28-20)17-9-7-15(24)11-19(17)23(25,26)27/h2-12H,13H2,1H3
InChIKeyGCCCLPBPPIASNG-UHFFFAOYSA-N
XLogP5.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mk-0249
CID 11697697
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
2-[2-[3-(4-Methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 1366773
Yil781
CID 23631116
2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-6-methoxy-3-methylquinazolin-4(3H)-one
CID 11502638
6-(4-fluorophenoxy)-2-(2-methylphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4(3H)-one
CID 23631026
(S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3-yl)methyl)-2-o-tolylquinazolin-4(3H)-one
CID 23631112
6-(4-fluorophenoxy)-3-[(1-isopropylpiperidin-3-yl)methyl]-2-(2-methylphenyl)quinazolin-4(3H)-one
CID 23631385
2-(6-(3-((dimethylamino)methyl)phenyl)-2-(4-fluoro-3-methoxyphenyl)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
CID 24900844
4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-phenyl-
CID 708934
3-{[4-Oxo-1-(2,4,6-Trifluorobenzyl)-1,4-Dihydroquinazolin-6-Yl]oxy}-2-(Trifluoromethyl)benzamide
CID 71581438
1-(2,4,6-Trifluorobenzyl)-6-[2-(Trifluoromethyl)phenoxy]quinazolin-4(1h)-One
CID 71598541

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one?
The IUPAC name of 3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one (CID 46101950) is 3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one?
The canonical SMILES for 3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one is COc1ccc2nc(-c3ccc(F)cc3C(F)(F)F)n(Cc3ccccc3)c(=O)c2c1.
What is the InChIKey of 3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one?
The InChIKey is GCCCLPBPPIASNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2O2/c1-31-16-8-10-20-18(12-16)22(30)29(13-14-5-3-2-4-6-14)21(28-20)17-9-7-15(24)11-19(17)23(25,26)27/h2-12H,13H2,1H3.
What are the key properties of 3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one?
3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one has a molecular weight of 428.39 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-one is sourced from PubChem (CID 46101950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).