5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one

C18H15F3N2O — CID 16654130

IUPAC5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one
SMILESCc1cc(C)c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C18H15F3N2O/c1-11-8-12(2)22-17-15(11)6-7-16(24)23(17)10-13-4-3-5-14(9-13)18(19,20)21/h3-9H,10H2,1-2H3
InChIKeyYYQHSPXVBWZAIQ-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.08
Rot. Bonds2

About 5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one

5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one (PubChem CID 16654130) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one
PubChem CID16654130
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one
SMILESCc1cc(C)c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C18H15F3N2O/c1-11-8-12(2)22-17-15(11)6-7-16(24)23(17)10-13-4-3-5-14(9-13)18(19,20)21/h3-9H,10H2,1-2H3
InChIKeyYYQHSPXVBWZAIQ-UHFFFAOYSA-N
XLogP4.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-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

5,7-dimethyl-1-(2-phenylethyl)-1,8-naphthyridin-2-one
CID 139602583
6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 8699136
4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 129453025
3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one
CID 50759395
1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one
CID 22753551
(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 71626145
4-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
CID 53058645
3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 46127402
4-chloro-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 2781849
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-methylsulfonyl-7-oxo-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-5-yl]carbamate
CID 177309621
N-(2,6-dimethylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697298
2-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinazolin-4-one
CID 56771563

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one?
The IUPAC name of 5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one (CID 16654130) is 5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one is Cc1cc(C)c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2n1.
What is the InChIKey of 5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one?
The InChIKey is YYQHSPXVBWZAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-11-8-12(2)22-17-15(11)6-7-16(24)23(17)10-13-4-3-5-14(9-13)18(19,20)21/h3-9H,10H2,1-2H3.
What are the key properties of 5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one?
5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one has a molecular weight of 332.33 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 16654130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).