2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide

C46H35F6N7O4S — CID 158266622

IUPAC2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide
SMILESCCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.NC(=O)CSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C23H17F3N4O2S.C23H18F3N3O2/c24-23(25,26)16-11-20(33-13-18(27)32)29-22-21(16)17(31)12-19(28-14-7-3-1-4-8-14)30(22)15-9-5-2-6-10-15;1-2-31-20-13-17(23(24,25)26)21-18(30)14-19(27-15-9-5-3-6-10-15)29(22(21)28-20)16-11-7-4-8-12-16/h1-12,28H,13H2,(H2,27,32);3-14,27H,2H2,1H3
InChIKeyGINFYYANCXDBPI-UHFFFAOYSA-N
MW895.89 g/mol
LogP10.27
Rot. Bonds11

About 2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide

2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide (PubChem CID 158266622) has the molecular formula C46H35F6N7O4S and a molecular weight of 895.89 g/mol. Its IUPAC name is 2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide
PubChem CID158266622
Molecular FormulaC46H35F6N7O4S
Molecular Weight895.89 g/mol
Exact Mass895.24
IUPAC Name2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide
SMILESCCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.NC(=O)CSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C23H17F3N4O2S.C23H18F3N3O2/c24-23(25,26)16-11-20(33-13-18(27)32)29-22-21(16)17(31)12-19(28-14-7-3-1-4-8-14)30(22)15-9-5-2-6-10-15;1-2-31-20-13-17(23(24,25)26)21-18(30)14-19(27-15-9-5-3-6-10-15)29(22(21)28-20)16-11-7-4-8-12-16/h1-12,28H,13H2,(H2,27,32);3-14,27H,2H2,1H3
InChIKeyGINFYYANCXDBPI-UHFFFAOYSA-N
XLogP10.27
TPSA146.16 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500895.89
LogP ≤ 510.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790642
2-anilino-7-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790651
2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790875
3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide
CID 67564367
3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide
CID 20790996
2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N,N-dimethylacetamide
CID 20790460
2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790701
2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid
CID 142224612
2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide
CID 142224726
N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene
CID 142225586
(Z)-3-anilino-3-(N-(3,6-dimethyl-4-propan-2-yloxy-2-pyridinyl)anilino)prop-2-enal;2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane
CID 142225380
7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid
CID 20791091

Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide (CID 158266622) is 2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide is CCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.NC(=O)CSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide?
The InChIKey is GINFYYANCXDBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2S.C23H18F3N3O2/c24-23(25,26)16-11-20(33-13-18(27)32)29-22-21(16)17(31)12-19(28-14-7-3-1-4-8-14)30(22)15-9-5-2-6-10-15;1-2-31-20-13-17(23(24,25)26)21-18(30)14-19(27-15-9-5-3-6-10-15)29(22(21)28-20)16-11-7-4-8-12-16/h1-12,28H,13H2,(H2,27,32);3-14,27H,2H2,1H3.
What are the key properties of 2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide?
2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide has a molecular weight of 895.89 g/mol, XLogP of 10.27, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 158266622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).