7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen

C134H132F6N20O6 — CID 160571716

IUPAC7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen
SMILESC.C.CC(=O)c1cccc(-c2ccc3c(n2)N(c2ccccc2)C(Nc2ccccc2)CC3=O)c1.Cc1cc(N2CCN(C)CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(N2CCNCC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCCCC3)cc(C(F)(F)F)c12.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H23N3O2.C27H18F3N3O.C26H23F3N4O.C26H27N5O.C25H25N5O.2CH4.4H2/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;28-27(29,30)21-16-22(18-10-4-1-5-11-18)32-26-25(21)23(34)17-24(31-19-12-6-2-7-13-19)33(26)20-14-8-3-9-15-20;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;1-19-17-23(30-15-13-29(2)14-16-30)28-26-25(19)22(32)18-24(27-20-9-5-3-6-10-20)31(26)21-11-7-4-8-12-21;1-18-16-22(29-14-12-26-13-15-29)28-25-24(18)21(31)17-23(27-19-8-4-2-5-9-19)30(25)20-10-6-3-7-11-20;;;;;;/h2-17,27,29H,18H2,1H3;1-17,31H;1-2,4-7,10-13,16-17,30H,3,8-9,14-15H2;3-12,17-18,27H,13-16H2,1-2H3;2-11,16-17,26-27H,12-15H2,1H3;2*1H4;4*1H
InChIKeyRAQCWLPMZOJFHR-UHFFFAOYSA-N
MW2232.65 g/mol
LogP29.36
Rot. Bonds21

About 7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen

7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen (PubChem CID 160571716) has the molecular formula C134H132F6N20O6 and a molecular weight of 2232.65 g/mol. Its IUPAC name is 7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen.

Molecular Properties

Compound Name7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen
PubChem CID160571716
Molecular FormulaC134H132F6N20O6
Molecular Weight2232.65 g/mol
Exact Mass2231.05
IUPAC Name7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen
SMILESC.C.CC(=O)c1cccc(-c2ccc3c(n2)N(c2ccccc2)C(Nc2ccccc2)CC3=O)c1.Cc1cc(N2CCN(C)CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(N2CCNCC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCCCC3)cc(C(F)(F)F)c12.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H23N3O2.C27H18F3N3O.C26H23F3N4O.C26H27N5O.C25H25N5O.2CH4.4H2/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;28-27(29,30)21-16-22(18-10-4-1-5-11-18)32-26-25(21)23(34)17-24(31-19-12-6-2-7-13-19)33(26)20-14-8-3-9-15-20;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;1-19-17-23(30-15-13-29(2)14-16-30)28-26-25(19)22(32)18-24(27-20-9-5-3-6-10-20)31(26)21-11-7-4-8-12-21;1-18-16-22(29-14-12-26-13-15-29)28-25-24(18)21(31)17-23(27-19-8-4-2-5-9-19)30(25)20-10-6-3-7-11-20;;;;;;/h2-17,27,29H,18H2,1H3;1-17,31H;1-2,4-7,10-13,16-17,30H,3,8-9,14-15H2;3-12,17-18,27H,13-16H2,1-2H3;2-11,16-17,26-27H,12-15H2,1H3;2*1H4;4*1H
InChIKeyRAQCWLPMZOJFHR-UHFFFAOYSA-N
XLogP29.36
TPSA274.97 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002232.65
LogP ≤ 529.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen with MolForge

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Related Compounds

3-methyl-N-[7-[[3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carbonyl]amino]heptyl]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 53475399
3-methyl-N-[6-[[3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carbonyl]amino]hexyl]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 70687357
3-methyl-N-[8-[[3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carbonyl]amino]octyl]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 70691518
(2,8-Dimethylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098946
2-formyl-N-(5-(trifluoromethyl)pyridin-2-yl)quinoline-8-carboxamide
CID 139187792
7-(3-Acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10300555
4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]-2-(trifluoromethyl)quinazoline-8-carboxamide;2-methyl-4-[[(1S)-2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
CID 66714757
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1-ethyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1,8-naphthyridine-3-carboxamide
CID 67436500
1-(4-Acetylphenyl)-3-[2-[7-[7-[2-[(3-fluoro-4-methylphenyl)carbamoylamino]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea
CID 90913127
5-[2-(1-aminoisoquinolin-4-yl)ethynyl]-N-[4-[[4-[2-[2-[2-(1-aminoisoquinolin-4-yl)ethynyl]-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 134276701
3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane
CID 142225713
4-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-ethylpiperazine-1-carboxamide;8-anilino-6-oxo-9-phenyl-4-(trifluoromethyl)-5H-pyrido[2,3-b]azepine-2-carbonitrile;ethane
CID 142225739

Frequently Asked Questions

What is the IUPAC name of 7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen?
The IUPAC name of 7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen (CID 160571716) is 7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen.
What is the SMILES notation for 7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen?
The canonical SMILES for 7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen is C.C.CC(=O)c1cccc(-c2ccc3c(n2)N(c2ccccc2)C(Nc2ccccc2)CC3=O)c1.Cc1cc(N2CCN(C)CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(N2CCNCC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCCCC3)cc(C(F)(F)F)c12.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen?
The InChIKey is RAQCWLPMZOJFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2.C27H18F3N3O.C26H23F3N4O.C26H27N5O.C25H25N5O.2CH4.4H2/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;28-27(29,30)21-16-22(18-10-4-1-5-11-18)32-26-25(21)23(34)17-24(31-19-12-6-2-7-13-19)33(26)20-14-8-3-9-15-20;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;1-19-17-23(30-15-13-29(2)14-16-30)28-26-25(19)22(32)18-24(27-20-9-5-3-6-10-20)31(26)21-11-7-4-8-12-21;1-18-16-22(29-14-12-26-13-15-29)28-25-24(18)21(31)17-23(27-19-8-4-2-5-9-19)30(25)20-10-6-3-7-11-20;;;;;;/h2-17,27,29H,18H2,1H3;1-17,31H;1-2,4-7,10-13,16-17,30H,3,8-9,14-15H2;3-12,17-18,27H,13-16H2,1-2H3;2-11,16-17,26-27H,12-15H2,1H3;2*1H4;4*1H.
What are the key properties of 7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen?
7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen has a molecular weight of 2232.65 g/mol, XLogP of 29.36, 21 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen is sourced from PubChem (CID 160571716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).