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

C123H100F9N19O10S — CID 159646764

IUPAC7-(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
SMILESCC(=O)c1cccc(-c2ccc3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)c1.CCN(CC)C(=O)c1cc(C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.CCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.NC(=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
InChIInChI=1S/C28H21N3O2.C26H26N4O2.C23H18F3N5O2.C23H17F3N4O2S.C23H18F3N3O2/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;1-4-29(5-2)26(32)21-16-18(3)24-22(31)17-23(27-19-12-8-6-9-13-19)30(25(24)28-21)20-14-10-7-11-15-20;24-23(25,26)16-11-19(28-13-18(27)33)30-22-21(16)17(32)12-20(29-14-7-3-1-4-8-14)31(22)15-9-5-2-6-10-15;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;6-17,27H,4-5H2,1-3H3;1-12,29H,13H2,(H2,27,33)(H,28,30);1-12,28H,13H2,(H2,27,32);3-14,27H,2H2,1H3
InChIKeyMRBAEGTWKLRKQR-UHFFFAOYSA-N
MW2207.32 g/mol
LogP25.24
Rot. Bonds28

About 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

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 (PubChem CID 159646764) has the molecular formula C123H100F9N19O10S and a molecular weight of 2207.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID159646764
Molecular FormulaC123H100F9N19O10S
Molecular Weight2207.32 g/mol
Exact Mass2205.75
IUPAC Name7-(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
SMILESCC(=O)c1cccc(-c2ccc3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)c1.CCN(CC)C(=O)c1cc(C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.CCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.NC(=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
InChIInChI=1S/C28H21N3O2.C26H26N4O2.C23H18F3N5O2.C23H17F3N4O2S.C23H18F3N3O2/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;1-4-29(5-2)26(32)21-16-18(3)24-22(31)17-23(27-19-12-8-6-9-13-19)30(25(24)28-21)20-14-10-7-11-15-20;24-23(25,26)16-11-19(28-13-18(27)33)30-22-21(16)17(32)12-20(29-14-7-3-1-4-8-14)31(22)15-9-5-2-6-10-15;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;6-17,27H,4-5H2,1-3H3;1-12,29H,13H2,(H2,27,33)(H,28,30);1-12,28H,13H2,(H2,27,32);3-14,27H,2H2,1H3
InChIKeyMRBAEGTWKLRKQR-UHFFFAOYSA-N
XLogP25.24
TPSA379.42 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002207.32
LogP ≤ 525.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

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Related Compounds

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxamide;2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]ethanone
CID 157352300
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
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
N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide
CID 159469047
1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene;6-tert-butyl-N-(2,2-dimethylpropyl)-4-propan-2-ylpyridin-2-amine;1-tert-butyl-3-(2,2-dimethylpropylsulfonyl)-5-propan-2-ylbenzene;1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzenesulfonamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 160036276
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
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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1cccc(-c2ccc3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)c1.CCN(CC)C(=O)c1cc(C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.CCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.NC(=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.
What is the InChIKey of 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?
The InChIKey is MRBAEGTWKLRKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O2.C26H26N4O2.C23H18F3N5O2.C23H17F3N4O2S.C23H18F3N3O2/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;1-4-29(5-2)26(32)21-16-18(3)24-22(31)17-23(27-19-12-8-6-9-13-19)30(25(24)28-21)20-14-10-7-11-15-20;24-23(25,26)16-11-19(28-13-18(27)33)30-22-21(16)17(32)12-20(29-14-7-3-1-4-8-14)31(22)15-9-5-2-6-10-15;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;6-17,27H,4-5H2,1-3H3;1-12,29H,13H2,(H2,27,33)(H,28,30);1-12,28H,13H2,(H2,27,32);3-14,27H,2H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2207.32 g/mol, XLogP of 25.24, 28 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;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 is sourced from PubChem (CID 159646764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).