2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane

C117H107N17O8S — CID 160546843

IUPAC2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane
SMILESC.C.CC(C)Oc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.CCOc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.CCc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.CN(C)C(=O)CNc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(-c3ccsc3)ncc12
InChIInChI=1S/C24H23N5O2.C24H17N3OS.C23H21N3O2.C22H19N3O2.C22H19N3O.2CH4/c1-28(2)24(31)16-26-22-13-20-19(15-25-22)21(30)14-23(27-17-9-5-3-6-10-17)29(20)18-11-7-4-8-12-18;28-23-14-24(26-18-7-3-1-4-8-18)27(19-9-5-2-6-10-19)22-13-21(25-15-20(22)23)17-11-12-29-16-17;1-16(2)28-23-13-20-19(15-24-23)21(27)14-22(25-17-9-5-3-6-10-17)26(20)18-11-7-4-8-12-18;1-2-27-22-13-19-18(15-23-22)20(26)14-21(24-16-9-5-3-6-10-16)25(19)17-11-7-4-8-12-17;1-2-16-13-20-19(15-23-16)21(26)14-22(24-17-9-5-3-6-10-17)25(20)18-11-7-4-8-12-18;;/h3-15,27H,16H2,1-2H3,(H,25,26);1-16,26H;3-16,25H,1-2H3;3-15,24H,2H2,1H3;3-15,24H,2H2,1H3;2*1H4
InChIKeyQXNUKBNCSUXYAB-UHFFFAOYSA-N
MW1911.32 g/mol
LogP24.90
Rot. Bonds24

About 2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane

2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane (PubChem CID 160546843) has the molecular formula C117H107N17O8S and a molecular weight of 1911.32 g/mol. Its IUPAC name is 2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane.

Molecular Properties

Compound Name2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane
PubChem CID160546843
Molecular FormulaC117H107N17O8S
Molecular Weight1911.32 g/mol
Exact Mass1909.82
IUPAC Name2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane
SMILESC.C.CC(C)Oc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.CCOc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.CCc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.CN(C)C(=O)CNc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(-c3ccsc3)ncc12
InChIInChI=1S/C24H23N5O2.C24H17N3OS.C23H21N3O2.C22H19N3O2.C22H19N3O.2CH4/c1-28(2)24(31)16-26-22-13-20-19(15-25-22)21(30)14-23(27-17-9-5-3-6-10-17)29(20)18-11-7-4-8-12-18;28-23-14-24(26-18-7-3-1-4-8-18)27(19-9-5-2-6-10-19)22-13-21(25-15-20(22)23)17-11-12-29-16-17;1-16(2)28-23-13-20-19(15-24-23)21(27)14-22(25-17-9-5-3-6-10-17)26(20)18-11-7-4-8-12-18;1-2-27-22-13-19-18(15-23-22)20(26)14-21(24-16-9-5-3-6-10-16)25(19)17-11-7-4-8-12-17;1-2-16-13-20-19(15-23-16)21(26)14-22(24-17-9-5-3-6-10-17)25(20)18-11-7-4-8-12-18;;/h3-15,27H,16H2,1-2H3,(H,25,26);1-16,26H;3-16,25H,1-2H3;3-15,24H,2H2,1H3;3-15,24H,2H2,1H3;2*1H4
InChIKeyQXNUKBNCSUXYAB-UHFFFAOYSA-N
XLogP24.90
TPSA285.40 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001911.32
LogP ≤ 524.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane with MolForge

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Related Compounds

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]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 159215185
7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;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]acetamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide
CID 159646764
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
(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(3S)-6-(4-methylphenyl)-4-oxo-1-phenyl-6-pyridin-3-ylhexan-3-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(3S)-6-[5-methyl-2-(trifluoromethyl)furan-3-yl]-4-oxo-1-phenylhexan-3-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(3S)-2-oxo-5-phenyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pentan-3-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(3S)-2-oxo-5-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-3-yl]butanediamide
CID 161774907
6-(3-Methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70934177
9-[[3-[4-[[8-Methoxy-1-[[3-[4-[(8-methoxy-1-methyl-5-oxo-2,3-dihydropyrido[4,3-e][1,4]diazepin-4-yl)methyl]phenoxy]-3-thiophen-3-ylpropyl]-methylamino]-5-oxo-2,3-dihydropyrido[4,3-e][1,4]diazepin-4-yl]methyl]phenoxy]-3-(5-methylthiophen-2-yl)propyl]-methylamino]-6-[[4-[3-(methylamino)-1-(5-methylthiophen-2-yl)propoxy]phenyl]methyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 132098855
2-Anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one
CID 157395015
2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one
CID 157892760
2-N-tert-butyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethylpyridine-2,5-dicarboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(2-methoxyphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;N-[3-[4-[(2-cyclohexylacetyl)-[(3-methylphenyl)methyl]amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N,4,6-trimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide
CID 157953160
N-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 158106379
N-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 158277113
N-benzyl-2,2-dimethylpropanamide;N-(3,3-dimethylbut-1-en-2-yl)-N-methylpyridin-2-amine;2,2-dimethyl-N-[(4-methylphenyl)methyl]propanamide;2,2-dimethyl-N-(1-phenylcyclopropyl)propanamide;bis(2,2-dimethyl-N-(1-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(1-pyridin-3-ylcyclopropyl)propanamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;2,2-dimethyl-N-(1-pyridin-2-ylpropyl)propanamide;3,3-dimethyl-N-(thiophen-2-ylmethyl)but-1-en-2-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
CID 158340459

Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane?
The IUPAC name of 2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane (CID 160546843) is 2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane.
What is the SMILES notation for 2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane?
The canonical SMILES for 2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane is C.C.CC(C)Oc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.CCOc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.CCc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.CN(C)C(=O)CNc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(-c3ccsc3)ncc12.
What is the InChIKey of 2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane?
The InChIKey is QXNUKBNCSUXYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2.C24H17N3OS.C23H21N3O2.C22H19N3O2.C22H19N3O.2CH4/c1-28(2)24(31)16-26-22-13-20-19(15-25-22)21(30)14-23(27-17-9-5-3-6-10-17)29(20)18-11-7-4-8-12-18;28-23-14-24(26-18-7-3-1-4-8-18)27(19-9-5-2-6-10-19)22-13-21(25-15-20(22)23)17-11-12-29-16-17;1-16(2)28-23-13-20-19(15-24-23)21(27)14-22(25-17-9-5-3-6-10-17)26(20)18-11-7-4-8-12-18;1-2-27-22-13-19-18(15-23-22)20(26)14-21(24-16-9-5-3-6-10-16)25(19)17-11-7-4-8-12-17;1-2-16-13-20-19(15-23-16)21(26)14-22(24-17-9-5-3-6-10-17)25(20)18-11-7-4-8-12-18;;/h3-15,27H,16H2,1-2H3,(H,25,26);1-16,26H;3-16,25H,1-2H3;3-15,24H,2H2,1H3;3-15,24H,2H2,1H3;2*1H4.
What are the key properties of 2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane?
2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane has a molecular weight of 1911.32 g/mol, XLogP of 24.90, 24 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-ethoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-ethyl-1-phenyl-1,6-naphthyridin-4-one;2-[(2-anilino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)amino]-N,N-dimethylacetamide;2-anilino-1-phenyl-7-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-1,6-naphthyridin-4-one;methane is sourced from PubChem (CID 160546843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).