3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one

C24H17F3N2O2 — CID 50759395

IUPAC3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)c(C(=O)c3ccccc3)cn(Cc3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C24H17F3N2O2/c1-15-10-11-19-22(31)20(21(30)17-7-3-2-4-8-17)14-29(23(19)28-15)13-16-6-5-9-18(12-16)24(25,26)27/h2-12,14H,13H2,1H3
InChIKeyZCQSRBAGCOYSLY-UHFFFAOYSA-N
MW422.41 g/mol
LogP5.00
Rot. Bonds4

About 3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one

3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one (PubChem CID 50759395) has the molecular formula C24H17F3N2O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one
PubChem CID50759395
Molecular FormulaC24H17F3N2O2
Molecular Weight422.41 g/mol
Exact Mass422.12
IUPAC Name3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)c(C(=O)c3ccccc3)cn(Cc3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C24H17F3N2O2/c1-15-10-11-19-22(31)20(21(30)17-7-3-2-4-8-17)14-29(23(19)28-15)13-16-6-5-9-18(12-16)24(25,26)27/h2-12,14H,13H2,1H3
InChIKeyZCQSRBAGCOYSLY-UHFFFAOYSA-N
XLogP5.00
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759361
3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759428
2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20929836
3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759387
1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759408
N-benzyl-2-[3-(4-ethylbenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929725
N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929809
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759461
2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929843
1-ethyl-7-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 53087106
5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one
CID 16654130
N-(2-benzylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 2083370

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one?
The IUPAC name of 3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one (CID 50759395) is 3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one?
The canonical SMILES for 3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one is Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(Cc3cccc(C(F)(F)F)c3)c2n1.
What is the InChIKey of 3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one?
The InChIKey is ZCQSRBAGCOYSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O2/c1-15-10-11-19-22(31)20(21(30)17-7-3-2-4-8-17)14-29(23(19)28-15)13-16-6-5-9-18(12-16)24(25,26)27/h2-12,14H,13H2,1H3.
What are the key properties of 3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one?
3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one has a molecular weight of 422.41 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one is sourced from PubChem (CID 50759395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).