2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C25H16F3N3OS — CID 10115683

IUPAC2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccsc3)cc(C(F)(F)F)c12
InChIInChI=1S/C25H16F3N3OS/c26-25(27,28)19-13-20(16-11-12-33-15-16)30-24-23(19)21(32)14-22(29-17-7-3-1-4-8-17)31(24)18-9-5-2-6-10-18/h1-15,29H
InChIKeyYGBWMNZEGIISEO-UHFFFAOYSA-N
MW463.48 g/mol
LogP6.88
Rot. Bonds4

About 2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 10115683) has the molecular formula C25H16F3N3OS and a molecular weight of 463.48 g/mol. Its IUPAC name is 2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID10115683
Molecular FormulaC25H16F3N3OS
Molecular Weight463.48 g/mol
Exact Mass463.10
IUPAC Name2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccsc3)cc(C(F)(F)F)c12
InChIInChI=1S/C25H16F3N3OS/c26-25(27,28)19-13-20(16-11-12-33-15-16)30-24-23(19)21(32)14-22(29-17-7-3-1-4-8-17)31(24)18-9-5-2-6-10-18/h1-15,29H
InChIKeyYGBWMNZEGIISEO-UHFFFAOYSA-N
XLogP6.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.48
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Sulfanyl-7-(thiophen-2-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-ol
CID 5678845
2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one
CID 5470948
2-[(6-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127138
5-Phenyl-2-[[6-(trifluoromethyl)pyridin-2-yl]amino]thiophene-3-carboxamide
CID 25127784
5-(2,4-Difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525628
5-(4-Fluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525688
5-(2-Fluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525717
2-[(6-Methylpyridin-2-yl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 59525728
5-(2,3-Difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525760
2-[(6-Methylpyridin-2-yl)amino]-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 59526007
5-(3-Fluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59526068
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 652310

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 10115683) is 2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccsc3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is YGBWMNZEGIISEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N3OS/c26-25(27,28)19-13-20(16-11-12-33-15-16)30-24-23(19)21(32)14-22(29-17-7-3-1-4-8-17)31(24)18-9-5-2-6-10-18/h1-15,29H.
What are the key properties of 2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 463.48 g/mol, XLogP of 6.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 10115683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).