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

C28H21F3N4O — CID 20790701

IUPAC2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(CNc3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C28H21F3N4O/c29-28(30,31)23-16-21(18-32-19-10-4-1-5-11-19)34-27-26(23)24(36)17-25(33-20-12-6-2-7-13-20)35(27)22-14-8-3-9-15-22/h1-17,32-33H,18H2
InChIKeyAZUXKSNXEMLRJF-UHFFFAOYSA-N
MW486.50 g/mol
LogP6.76
Rot. Bonds6

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

2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 20790701) has the molecular formula C28H21F3N4O and a molecular weight of 486.50 g/mol. Its IUPAC name is 2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID20790701
Molecular FormulaC28H21F3N4O
Molecular Weight486.50 g/mol
Exact Mass486.17
IUPAC Name2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(CNc3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C28H21F3N4O/c29-28(30,31)23-16-21(18-32-19-10-4-1-5-11-19)34-27-26(23)24(36)17-25(33-20-12-6-2-7-13-20)35(27)22-14-8-3-9-15-22/h1-17,32-33H,18H2
InChIKeyAZUXKSNXEMLRJF-UHFFFAOYSA-N
XLogP6.76
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.50
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Acyl-2,6-diaminopyridine deriv. 2n
CID 5330828
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
5,7-Dimethyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-one
CID 5468781
2-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one
CID 5468784
2-(3-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468785
2-(4-Fluorophenyl)-7-methyl-1,8-naphthyridin-4-ol
CID 5468910
4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[[6-(3-fluorophenyl)-2-pyridinyl]amino]benzamide
CID 71523041
4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[[6-(3,4-difluorophenyl)-2-pyridinyl]amino]benzamide
CID 71523123
3-Acyl-2,6-diaminopyridine deriv. 2a
CID 5330815
3-Acyl-2,6-diaminopyridine deriv. 2f
CID 5330820
3-Acyl-2,6-diaminopyridine deriv. 2h
CID 5330822
2-(2-Fluoro-phenyl)-7-methyl-[1,8]naphthyridin-4-ol
CID 10538858

Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 20790701) is 2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(CNc3ccccc3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is AZUXKSNXEMLRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N4O/c29-28(30,31)23-16-21(18-32-19-10-4-1-5-11-19)34-27-26(23)24(36)17-25(33-20-12-6-2-7-13-20)35(27)22-14-8-3-9-15-22/h1-17,32-33H,18H2.
What are the key properties of 2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 486.50 g/mol, XLogP of 6.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).