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

C173H180F2N20O7 — CID 158012024

IUPAC4-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
SMILESCCCCc1ccc(-c2cc3c(NC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)cn1.CCCCc1ccc(-c2cc3c(NCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2CO)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC4CC4)cnc3cc2C)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC4CC4)cnc3cc2F)cn1.CCCCc1ccc(-c2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)cn1.CCCCc1ccc(-c2ccc3ncc(C(=O)NCC)c(Nc4ccccc4)c3c2)cn1
InChIInChI=1S/C31H33N3O2.C30H31N3O.C29H28FN3O.C28H30FN3O.C28H30N4O.C27H28N4O/c1-2-3-9-25-13-12-23(18-32-25)26-16-27-29(15-24(26)20-35)33-19-28(30(36)14-21-10-11-21)31(27)34-17-22-7-5-4-6-8-22;1-3-4-8-23-14-13-22(18-31-23)25-17-26-28(15-20(25)2)32-19-27(29(34)16-21-11-12-21)30(26)33-24-9-6-5-7-10-24;1-2-3-7-21-13-12-20(17-31-21)23-15-24-27(16-26(23)30)32-18-25(28(34)14-19-10-11-19)29(24)33-22-8-5-4-6-9-22;1-2-3-4-20-8-7-17(14-30-20)21-12-22-25(13-24(21)29)31-15-23(26(33)9-16-5-6-16)28(22)32-27-18-10-19(27)11-18;1-4-5-9-22-14-12-21(17-29-22)20-13-15-26-24(16-20)27(32-23-10-7-6-8-11-23)25(18-30-26)28(33)31-19(2)3;1-3-5-9-21-14-12-20(17-29-21)19-13-15-25-23(16-19)26(31-22-10-7-6-8-11-22)24(18-30-25)27(32)28-4-2/h4-8,12-13,15-16,18-19,21,35H,2-3,9-11,14,17,20H2,1H3,(H,33,34);5-7,9-10,13-15,17-19,21H,3-4,8,11-12,16H2,1-2H3,(H,32,33);4-6,8-9,12-13,15-19H,2-3,7,10-11,14H2,1H3,(H,32,33);7-8,12-16,18-19,27H,2-6,9-11H2,1H3,(H,31,32);6-8,10-19H,4-5,9H2,1-3H3,(H,30,32)(H,31,33);6-8,10-18H,3-5,9H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyFEZVIQCUGKAWPJ-UHFFFAOYSA-N
MW2689.47 g/mol
LogP41.14
Rot. Bonds54

About 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

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 (PubChem CID 158012024) has the molecular formula C173H180F2N20O7 and a molecular weight of 2689.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID158012024
Molecular FormulaC173H180F2N20O7
Molecular Weight2689.47 g/mol
Exact Mass2687.43
IUPAC Name4-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
SMILESCCCCc1ccc(-c2cc3c(NC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)cn1.CCCCc1ccc(-c2cc3c(NCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2CO)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC4CC4)cnc3cc2C)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC4CC4)cnc3cc2F)cn1.CCCCc1ccc(-c2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)cn1.CCCCc1ccc(-c2ccc3ncc(C(=O)NCC)c(Nc4ccccc4)c3c2)cn1
InChIInChI=1S/C31H33N3O2.C30H31N3O.C29H28FN3O.C28H30FN3O.C28H30N4O.C27H28N4O/c1-2-3-9-25-13-12-23(18-32-25)26-16-27-29(15-24(26)20-35)33-19-28(30(36)14-21-10-11-21)31(27)34-17-22-7-5-4-6-8-22;1-3-4-8-23-14-13-22(18-31-23)25-17-26-28(15-20(25)2)32-19-27(29(34)16-21-11-12-21)30(26)33-24-9-6-5-7-10-24;1-2-3-7-21-13-12-20(17-31-21)23-15-24-27(16-26(23)30)32-18-25(28(34)14-19-10-11-19)29(24)33-22-8-5-4-6-9-22;1-2-3-4-20-8-7-17(14-30-20)21-12-22-25(13-24(21)29)31-15-23(26(33)9-16-5-6-16)28(22)32-27-18-10-19(27)11-18;1-4-5-9-22-14-12-21(17-29-22)20-13-15-26-24(16-20)27(32-23-10-7-6-8-11-23)25(18-30-26)28(33)31-19(2)3;1-3-5-9-21-14-12-20(17-29-21)19-13-15-25-23(16-19)26(31-22-10-7-6-8-11-22)24(18-30-25)27(32)28-4-2/h4-8,12-13,15-16,18-19,21,35H,2-3,9-11,14,17,20H2,1H3,(H,33,34);5-7,9-10,13-15,17-19,21H,3-4,8,11-12,16H2,1-2H3,(H,32,33);4-6,8-9,12-13,15-19H,2-3,7,10-11,14H2,1H3,(H,32,33);7-8,12-16,18-19,27H,2-6,9-11H2,1H3,(H,31,32);6-8,10-19H,4-5,9H2,1-3H3,(H,30,32)(H,31,33);6-8,10-18H,3-5,9H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyFEZVIQCUGKAWPJ-UHFFFAOYSA-N
XLogP41.14
TPSA373.57 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds54
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002689.47
LogP ≤ 541.14
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

18-(4-Ethenylphenyl)-7-(4-fluorophenyl)-19-hydroxy-7,11,18,22-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17-trione
CID 145429787
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butyl-2-fluorobenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-2-fluorobenzamide
CID 157164002
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-methylbenzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butyl-2-methylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-2-methylbenzamide
CID 157940603
3-[2-(8-aminooctyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[8-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]octylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane
CID 157975644
N-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 158463297
3-[2-(7-aminoheptyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[7-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]heptylcarbamoyl]-3-(trifluoromethyl)phenyl]-7-fluoro-4-(methylamino)quinoline-3-carboxamide;deuterio(fluoro)methane;methane
CID 158514943
4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane
CID 158849711
2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide
CID 159090108
3-[4-(8-aminooctyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]piperidine-2,6-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]octylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane
CID 160241144
3-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]octylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane
CID 160628262
2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;methane
CID 160683632
6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide
CID 161072633

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCc1ccc(-c2cc3c(NC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)cn1.CCCCc1ccc(-c2cc3c(NCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2CO)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC4CC4)cnc3cc2C)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC4CC4)cnc3cc2F)cn1.CCCCc1ccc(-c2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)cn1.CCCCc1ccc(-c2ccc3ncc(C(=O)NCC)c(Nc4ccccc4)c3c2)cn1.
What is the InChIKey of 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?
The InChIKey is FEZVIQCUGKAWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O2.C30H31N3O.C29H28FN3O.C28H30FN3O.C28H30N4O.C27H28N4O/c1-2-3-9-25-13-12-23(18-32-25)26-16-27-29(15-24(26)20-35)33-19-28(30(36)14-21-10-11-21)31(27)34-17-22-7-5-4-6-8-22;1-3-4-8-23-14-13-22(18-31-23)25-17-26-28(15-20(25)2)32-19-27(29(34)16-21-11-12-21)30(26)33-24-9-6-5-7-10-24;1-2-3-7-21-13-12-20(17-31-21)23-15-24-27(16-26(23)30)32-18-25(28(34)14-19-10-11-19)29(24)33-22-8-5-4-6-9-22;1-2-3-4-20-8-7-17(14-30-20)21-12-22-25(13-24(21)29)31-15-23(26(33)9-16-5-6-16)28(22)32-27-18-10-19(27)11-18;1-4-5-9-22-14-12-21(17-29-22)20-13-15-26-24(16-20)27(32-23-10-7-6-8-11-23)25(18-30-26)28(33)31-19(2)3;1-3-5-9-21-14-12-20(17-29-21)19-13-15-25-23(16-19)26(31-22-10-7-6-8-11-22)24(18-30-25)27(32)28-4-2/h4-8,12-13,15-16,18-19,21,35H,2-3,9-11,14,17,20H2,1H3,(H,33,34);5-7,9-10,13-15,17-19,21H,3-4,8,11-12,16H2,1-2H3,(H,32,33);4-6,8-9,12-13,15-19H,2-3,7,10-11,14H2,1H3,(H,32,33);7-8,12-16,18-19,27H,2-6,9-11H2,1H3,(H,31,32);6-8,10-19H,4-5,9H2,1-3H3,(H,30,32)(H,31,33);6-8,10-18H,3-5,9H2,1-2H3,(H,28,32)(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 2689.47 g/mol, XLogP of 41.14, 54 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158012024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).