7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen

C124H113F12N19O9S — CID 161173088

IUPAC7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen
SMILESCC(=O)c1cccc(-c2ccc3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)c1.CCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.CNC(=O)CNc1cc(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.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCCCC3)cc(C(F)(F)F)c12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H21N3O2.C26H23F3N4O.C24H20F3N5O2.C23H17F3N4O2S.C23H18F3N3O2.7H2/c1-19(32)20-9-8-10-21(17-20)25-16-15-24-26(33)18-27(29-22-11-4-2-5-12-22)31(28(24)30-25)23-13-6-3-7-14-23;27-26(28,29)20-16-22(32-14-8-3-9-15-32)31-25-24(20)21(34)17-23(30-18-10-4-1-5-11-18)33(25)19-12-6-2-7-13-19;1-28-21(34)14-29-19-12-17(24(25,26)27)22-18(33)13-20(30-15-8-4-2-5-9-15)32(23(22)31-19)16-10-6-3-7-11-16;24-23(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;;;;;;;/h2-18,29H,1H3;1-2,4-7,10-13,16-17,30H,3,8-9,14-15H2;2-13,30H,14H2,1H3,(H,28,34)(H,29,31);1-12,28H,13H2,(H2,27,32);3-14,27H,2H2,1H3;7*1H
InChIKeyURLGENAFOLSGKO-UHFFFAOYSA-N
MW2273.43 g/mol
LogP28.44
Rot. Bonds26

About 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen

7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen (PubChem CID 161173088) has the molecular formula C124H113F12N19O9S and a molecular weight of 2273.43 g/mol. Its IUPAC name is 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen.

Molecular Properties

Compound Name7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen
PubChem CID161173088
Molecular FormulaC124H113F12N19O9S
Molecular Weight2273.43 g/mol
Exact Mass2271.85
IUPAC Name7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen
SMILESCC(=O)c1cccc(-c2ccc3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)c1.CCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.CNC(=O)CNc1cc(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.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCCCC3)cc(C(F)(F)F)c12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H21N3O2.C26H23F3N4O.C24H20F3N5O2.C23H17F3N4O2S.C23H18F3N3O2.7H2/c1-19(32)20-9-8-10-21(17-20)25-16-15-24-26(33)18-27(29-22-11-4-2-5-12-22)31(28(24)30-25)23-13-6-3-7-14-23;27-26(28,29)20-16-22(32-14-8-3-9-15-32)31-25-24(20)21(34)17-23(30-18-10-4-1-5-11-18)33(25)19-12-6-2-7-13-19;1-28-21(34)14-29-19-12-17(24(25,26)27)22-18(33)13-20(30-15-8-4-2-5-9-15)32(23(22)31-19)16-10-6-3-7-11-16;24-23(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;;;;;;;/h2-18,29H,1H3;1-2,4-7,10-13,16-17,30H,3,8-9,14-15H2;2-13,30H,14H2,1H3,(H,28,34)(H,29,31);1-12,28H,13H2,(H2,27,32);3-14,27H,2H2,1H3;7*1H
InChIKeyURLGENAFOLSGKO-UHFFFAOYSA-N
XLogP28.44
TPSA348.36 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms165
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002273.43
LogP ≤ 528.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen?
The IUPAC name of 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen (CID 161173088) is 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen.
What is the SMILES notation for 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen?
The canonical SMILES for 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen is CC(=O)c1cccc(-c2ccc3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)c1.CCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.CNC(=O)CNc1cc(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.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCCCC3)cc(C(F)(F)F)c12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen?
The InChIKey is URLGENAFOLSGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O2.C26H23F3N4O.C24H20F3N5O2.C23H17F3N4O2S.C23H18F3N3O2.7H2/c1-19(32)20-9-8-10-21(17-20)25-16-15-24-26(33)18-27(29-22-11-4-2-5-12-22)31(28(24)30-25)23-13-6-3-7-14-23;27-26(28,29)20-16-22(32-14-8-3-9-15-32)31-25-24(20)21(34)17-23(30-18-10-4-1-5-11-18)33(25)19-12-6-2-7-13-19;1-28-21(34)14-29-19-12-17(24(25,26)27)22-18(33)13-20(30-15-8-4-2-5-9-15)32(23(22)31-19)16-10-6-3-7-11-16;24-23(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;;;;;;;/h2-18,29H,1H3;1-2,4-7,10-13,16-17,30H,3,8-9,14-15H2;2-13,30H,14H2,1H3,(H,28,34)(H,29,31);1-12,28H,13H2,(H2,27,32);3-14,27H,2H2,1H3;7*1H.
What are the key properties of 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen?
7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen has a molecular weight of 2273.43 g/mol, XLogP of 28.44, 26 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;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]amino]-N-methylacetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen is sourced from PubChem (CID 161173088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).