4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone

C150H160FN29O8 — CID 158388142

IUPAC4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone
SMILESCCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC(C)(C)C)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC)cnc3cc2C)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC)cnc3cc2F)n1.CCCCn1ccc(-c2ccc3ncc(C(=O)NC)c(Nc4ccccc4)c3c2)n1.CCCCn1ccc(-c2ccc3ncc(C(C)=O)c(Nc4ccccc4)c3c2)n1
InChIInChI=1S/C28H33N5O2.C25H27N5O2.C25H27N5O.C24H24FN5O.C24H25N5O.C24H24N4O/c1-5-6-13-33-14-12-24(32-33)21-16-22-25(15-19(21)18-34)29-17-23(27(35)31-28(2,3)4)26(22)30-20-10-8-7-9-11-20;1-3-4-11-30-12-10-22(29-30)19-14-20-23(13-17(19)16-31)27-15-21(25(32)26-2)24(20)28-18-8-6-5-7-9-18;1-4-5-12-30-13-11-22(29-30)19-15-20-23(14-17(19)2)27-16-21(25(31)26-3)24(20)28-18-9-7-6-8-10-18;1-3-4-11-30-12-10-21(29-30)17-13-18-22(14-20(17)25)27-15-19(24(31)26-2)23(18)28-16-8-6-5-7-9-16;1-3-4-13-29-14-12-21(28-29)17-10-11-22-19(15-17)23(20(16-26-22)24(30)25-2)27-18-8-6-5-7-9-18;1-3-4-13-28-14-12-22(27-28)18-10-11-23-20(15-18)24(21(16-25-23)17(2)29)26-19-8-6-5-7-9-19/h7-12,14-17,34H,5-6,13,18H2,1-4H3,(H,29,30)(H,31,35);5-10,12-15,31H,3-4,11,16H2,1-2H3,(H,26,32)(H,27,28);6-11,13-16H,4-5,12H2,1-3H3,(H,26,31)(H,27,28);5-10,12-15H,3-4,11H2,1-2H3,(H,26,31)(H,27,28);5-12,14-16H,3-4,13H2,1-2H3,(H,25,30)(H,26,27);5-12,14-16H,3-4,13H2,1-2H3,(H,25,26)
InChIKeyGWPOBTRFXUBPBH-UHFFFAOYSA-N
MW2516.12 g/mol
LogP31.45
Rot. Bonds44

About 4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone

4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone (PubChem CID 158388142) has the molecular formula C150H160FN29O8 and a molecular weight of 2516.12 g/mol. Its IUPAC name is 4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone.

Molecular Properties

Compound Name4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone
PubChem CID158388142
Molecular FormulaC150H160FN29O8
Molecular Weight2516.12 g/mol
Exact Mass2514.30
IUPAC Name4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone
SMILESCCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC(C)(C)C)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC)cnc3cc2C)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC)cnc3cc2F)n1.CCCCn1ccc(-c2ccc3ncc(C(=O)NC)c(Nc4ccccc4)c3c2)n1.CCCCn1ccc(-c2ccc3ncc(C(C)=O)c(Nc4ccccc4)c3c2)n1
InChIInChI=1S/C28H33N5O2.C25H27N5O2.C25H27N5O.C24H24FN5O.C24H25N5O.C24H24N4O/c1-5-6-13-33-14-12-24(32-33)21-16-22-25(15-19(21)18-34)29-17-23(27(35)31-28(2,3)4)26(22)30-20-10-8-7-9-11-20;1-3-4-11-30-12-10-22(29-30)19-14-20-23(13-17(19)16-31)27-15-21(25(32)26-2)24(20)28-18-8-6-5-7-9-18;1-4-5-12-30-13-11-22(29-30)19-15-20-23(14-17(19)2)27-16-21(25(31)26-3)24(20)28-18-9-7-6-8-10-18;1-3-4-11-30-12-10-21(29-30)17-13-18-22(14-20(17)25)27-15-19(24(31)26-2)23(18)28-16-8-6-5-7-9-16;1-3-4-13-29-14-12-21(28-29)17-10-11-22-19(15-17)23(20(16-26-22)24(30)25-2)27-18-8-6-5-7-9-18;1-3-4-13-28-14-12-22(27-28)18-10-11-23-20(15-18)24(21(16-25-23)17(2)29)26-19-8-6-5-7-9-19/h7-12,14-17,34H,5-6,13,18H2,1-4H3,(H,29,30)(H,31,35);5-10,12-15,31H,3-4,11,16H2,1-2H3,(H,26,32)(H,27,28);6-11,13-16H,4-5,12H2,1-3H3,(H,26,31)(H,27,28);5-10,12-15H,3-4,11H2,1-2H3,(H,26,31)(H,27,28);5-12,14-16H,3-4,13H2,1-2H3,(H,25,30)(H,26,27);5-12,14-16H,3-4,13H2,1-2H3,(H,25,26)
InChIKeyGWPOBTRFXUBPBH-UHFFFAOYSA-N
XLogP31.45
TPSA459.47 Ų
H-Bond Donors13
H-Bond Acceptors32
Rotatable Bonds44
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002516.12
LogP ≤ 531.45
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1032

Analyze 4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone with MolForge

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Related Compounds

1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide
CID 157651286
4-[[1-(4-aminobutyl)triazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-anilino-6-[6-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-N-methyl-7-(trifluoromethyl)quinoline-3-carboxamide;5-[4-anilino-3-(methylcarbamoyl)-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxylic acid;deuterio(fluoro)methane
CID 157747263
4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane
CID 159550713
4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide
CID 157093225
8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine
CID 157140414
4-anilino-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-4-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-4-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide
CID 157152208
3-benzyl-2-tert-butyl-3H-isoindol-1-one;2-tert-butyl-5-fluoro-1-(6-methyl-3-pyridinyl)indazol-3-one;2-tert-butyl-3-hydroxy-3-(4-methylphenyl)isoindol-1-one;2-tert-butyl-1-hydroxy-1-(6-methyl-3-pyridinyl)pyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-methylphenyl)indazol-3-one;2-tert-butyl-3-(4-methylphenyl)-3H-isoindol-1-one;2-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-3-one;2-tert-butyl-1-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-tert-butyl-5-phenylimidazolidin-2-one;2-tert-butyl-3-pyridin-2-yl-3H-isoindol-1-one;2-tert-butyl-3-pyridin-3-yl-3H-isoindol-1-one;2-tert-butyl-3-pyridin-4-yl-3H-isoindol-1-one
CID 157405853
7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157701373
lithium;5-methyl-N-(oxan-4-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-carboxamide;5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-carboxylate;oxan-4-amine
CID 157801726
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-4-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-6-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-2-ylpyrazole-4-carboxamide
CID 157846606
4-anilino-6-(6-butyl-3-pyridinyl)-N-ethylquinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]-2-cyclopropylethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]-2-cyclopropylethanone;4-anilino-6-(6-butyl-3-pyridinyl)-N-propan-2-ylquinoline-3-carboxamide;1-[4-(benzylamino)-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]-2-cyclopropylethanone
CID 158012024
2-[4-anilino-3-(tert-butylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-(4-anilino-7-fluoro-3-propanoylquinolin-6-yl)-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-7-(hydroxymethyl)-3-propanoylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane
CID 158094106

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone?
The IUPAC name of 4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone (CID 158388142) is 4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone.
What is the SMILES notation for 4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone?
The canonical SMILES for 4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone is CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC(C)(C)C)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC)cnc3cc2C)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC)cnc3cc2F)n1.CCCCn1ccc(-c2ccc3ncc(C(=O)NC)c(Nc4ccccc4)c3c2)n1.CCCCn1ccc(-c2ccc3ncc(C(C)=O)c(Nc4ccccc4)c3c2)n1.
What is the InChIKey of 4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone?
The InChIKey is GWPOBTRFXUBPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2.C25H27N5O2.C25H27N5O.C24H24FN5O.C24H25N5O.C24H24N4O/c1-5-6-13-33-14-12-24(32-33)21-16-22-25(15-19(21)18-34)29-17-23(27(35)31-28(2,3)4)26(22)30-20-10-8-7-9-11-20;1-3-4-11-30-12-10-22(29-30)19-14-20-23(13-17(19)16-31)27-15-21(25(32)26-2)24(20)28-18-8-6-5-7-9-18;1-4-5-12-30-13-11-22(29-30)19-15-20-23(14-17(19)2)27-16-21(25(31)26-3)24(20)28-18-9-7-6-8-10-18;1-3-4-11-30-12-10-21(29-30)17-13-18-22(14-20(17)25)27-15-19(24(31)26-2)23(18)28-16-8-6-5-7-9-16;1-3-4-13-29-14-12-21(28-29)17-10-11-22-19(15-17)23(20(16-26-22)24(30)25-2)27-18-8-6-5-7-9-18;1-3-4-13-28-14-12-22(27-28)18-10-11-23-20(15-18)24(21(16-25-23)17(2)29)26-19-8-6-5-7-9-19/h7-12,14-17,34H,5-6,13,18H2,1-4H3,(H,29,30)(H,31,35);5-10,12-15,31H,3-4,11,16H2,1-2H3,(H,26,32)(H,27,28);6-11,13-16H,4-5,12H2,1-3H3,(H,26,31)(H,27,28);5-10,12-15H,3-4,11H2,1-2H3,(H,26,31)(H,27,28);5-12,14-16H,3-4,13H2,1-2H3,(H,25,30)(H,26,27);5-12,14-16H,3-4,13H2,1-2H3,(H,25,26).
What are the key properties of 4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone?
4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone has a molecular weight of 2516.12 g/mol, XLogP of 31.45, 44 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone is sourced from PubChem (CID 158388142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).