2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C27H18F3N3O — CID 10139234

IUPAC2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C27H18F3N3O/c28-27(29,30)21-16-22(18-10-4-1-5-11-18)32-26-25(21)23(34)17-24(31-19-12-6-2-7-13-19)33(26)20-14-8-3-9-15-20/h1-17,31H
InChIKeyASSXHZNRJFATHV-UHFFFAOYSA-N
MW457.46 g/mol
LogP6.82
Rot. Bonds4

About 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 10139234) has the molecular formula C27H18F3N3O and a molecular weight of 457.46 g/mol. Its IUPAC name is 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID10139234
Molecular FormulaC27H18F3N3O
Molecular Weight457.46 g/mol
Exact Mass457.14
IUPAC Name2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C27H18F3N3O/c28-27(29,30)21-16-22(18-10-4-1-5-11-18)32-26-25(21)23(34)17-24(31-19-12-6-2-7-13-19)33(26)20-14-8-3-9-15-20/h1-17,31H
InChIKeyASSXHZNRJFATHV-UHFFFAOYSA-N
XLogP6.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.46
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Vx-702
CID 10341154
3-Acyl-2,6-diaminopyridine deriv. 2c
CID 5330817
3-Acyl-2,6-diaminopyridine deriv. 2l
CID 5330826
3-Acyl-2,6-diaminopyridine deriv. 2m
CID 5330827
2-(4-Ethyl-phenylamino)-4,6-dimethyl-nicotinamide
CID 712047
1,8-Naphthyridin-4-ol, 7-methyl-2-propyl-
CID 13155595
3-Acyl-2,6-diaminopyridine deriv. 2b
CID 5330816
3-Acyl-2,6-diaminopyridine deriv. 2k
CID 5330825
3-Acyl-2,6-diaminopyridine deriv. 2n
CID 5330828
N-[4-(4-Hydroxy-7-methyl-[1,8]naphthyridin-2-yl)-phenyl]-acetamide
CID 10085767
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
7-Amino-2-phenyl-[1,8]naphthyridin-4-ol
CID 14686958

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 10139234) is 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is ASSXHZNRJFATHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N3O/c28-27(29,30)21-16-22(18-10-4-1-5-11-18)32-26-25(21)23(34)17-24(31-19-12-6-2-7-13-19)33(26)20-14-8-3-9-15-20/h1-17,31H.
What are the key properties of 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 457.46 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 10139234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).