2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane

C161H189F3N30O13S6 — CID 162072339

IUPAC2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane
SMILESC.C.C.C.C.C.CCCCNC(=O)c1csc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2C)n1.CCCCNC(=O)c1csc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2F)n1.CCCCNC(=O)c1csc(-c2cc3c(NC4C5CC4C5)c(C(=O)NC4CC4)cnc3cc2F)n1.CCCCNC(=O)c1csc(-c2cc3c(NCc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2C)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2F)n1
InChIInChI=1S/C29H31N5O3S.C28H29N5O2S.C27H26FN5O2S.C26H28FN5O2S.C23H27N5O2S.C22H24FN5O2S.6CH4/c1-2-3-11-30-28(37)25-17-38-29(34-25)21-13-22-24(12-19(21)16-35)31-15-23(27(36)33-20-9-10-20)26(22)32-14-18-7-5-4-6-8-18;1-3-4-12-29-27(35)24-16-36-28(33-24)20-14-21-23(13-17(20)2)30-15-22(26(34)32-19-10-11-19)25(21)31-18-8-6-5-7-9-18;1-2-3-11-29-26(35)23-15-36-27(33-23)18-12-19-22(13-21(18)28)30-14-20(25(34)32-17-9-10-17)24(19)31-16-7-5-4-6-8-16;1-2-3-6-28-25(34)21-12-35-26(31-21)16-9-17-20(10-19(16)27)29-11-18(24(33)30-15-4-5-15)23(17)32-22-13-7-14(22)8-13;1-4-5-8-25-22(30)19-12-31-23(28-19)15-10-16-18(9-13(15)2)26-11-17(20(16)24-3)21(29)27-14-6-7-14;1-3-4-7-25-21(30)18-11-31-22(28-18)13-8-14-17(9-16(13)23)26-10-15(19(14)24-2)20(29)27-12-5-6-12;;;;;;/h4-8,12-13,15,17,20,35H,2-3,9-11,14,16H2,1H3,(H,30,37)(H,31,32)(H,33,36);5-9,13-16,19H,3-4,10-12H2,1-2H3,(H,29,35)(H,30,31)(H,32,34);4-8,12-15,17H,2-3,9-11H2,1H3,(H,29,35)(H,30,31)(H,32,34);9-15,22H,2-8H2,1H3,(H,28,34)(H,29,32)(H,30,33);9-12,14H,4-8H2,1-3H3,(H,24,26)(H,25,30)(H,27,29);8-12H,3-7H2,1-2H3,(H,24,26)(H,25,30)(H,27,29);6*1H4
InChIKeyZBGHMOCNUWCUKS-UHFFFAOYSA-N
MW3001.88 g/mol
LogP33.03
Rot. Bonds54

About 2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane

2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane (PubChem CID 162072339) has the molecular formula C161H189F3N30O13S6 and a molecular weight of 3001.88 g/mol. Its IUPAC name is 2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane.

Molecular Properties

Compound Name2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane
PubChem CID162072339
Molecular FormulaC161H189F3N30O13S6
Molecular Weight3001.88 g/mol
Exact Mass2999.33
IUPAC Name2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane
SMILESC.C.C.C.C.C.CCCCNC(=O)c1csc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2C)n1.CCCCNC(=O)c1csc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2F)n1.CCCCNC(=O)c1csc(-c2cc3c(NC4C5CC4C5)c(C(=O)NC4CC4)cnc3cc2F)n1.CCCCNC(=O)c1csc(-c2cc3c(NCc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2C)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2F)n1
InChIInChI=1S/C29H31N5O3S.C28H29N5O2S.C27H26FN5O2S.C26H28FN5O2S.C23H27N5O2S.C22H24FN5O2S.6CH4/c1-2-3-11-30-28(37)25-17-38-29(34-25)21-13-22-24(12-19(21)16-35)31-15-23(27(36)33-20-9-10-20)26(22)32-14-18-7-5-4-6-8-18;1-3-4-12-29-27(35)24-16-36-28(33-24)20-14-21-23(13-17(20)2)30-15-22(26(34)32-19-10-11-19)25(21)31-18-8-6-5-7-9-18;1-2-3-11-29-26(35)23-15-36-27(33-23)18-12-19-22(13-21(18)28)30-14-20(25(34)32-17-9-10-17)24(19)31-16-7-5-4-6-8-16;1-2-3-6-28-25(34)21-12-35-26(31-21)16-9-17-20(10-19(16)27)29-11-18(24(33)30-15-4-5-15)23(17)32-22-13-7-14(22)8-13;1-4-5-8-25-22(30)19-12-31-23(28-19)15-10-16-18(9-13(15)2)26-11-17(20(16)24-3)21(29)27-14-6-7-14;1-3-4-7-25-21(30)18-11-31-22(28-18)13-8-14-17(9-16(13)23)26-10-15(19(14)24-2)20(29)27-12-5-6-12;;;;;;/h4-8,12-13,15,17,20,35H,2-3,9-11,14,16H2,1H3,(H,30,37)(H,31,32)(H,33,36);5-9,13-16,19H,3-4,10-12H2,1-2H3,(H,29,35)(H,30,31)(H,32,34);4-8,12-15,17H,2-3,9-11H2,1H3,(H,29,35)(H,30,31)(H,32,34);9-15,22H,2-8H2,1H3,(H,28,34)(H,29,32)(H,30,33);9-12,14H,4-8H2,1-3H3,(H,24,26)(H,25,30)(H,27,29);8-12H,3-7H2,1-2H3,(H,24,26)(H,25,30)(H,27,29);6*1H4
InChIKeyZBGHMOCNUWCUKS-UHFFFAOYSA-N
XLogP33.03
TPSA596.29 Ų
H-Bond Donors19
H-Bond Acceptors37
Rotatable Bonds54
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003001.88
LogP ≤ 533.03
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane with MolForge

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Related Compounds

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
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
4-anilino-N-cyclopropyl-7-fluoro-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-methyl-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-N-cyclopropyl-7-fluoro-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-fluoro-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-methyl-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane
CID 157698175
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
4-anilino-N-cyclopropyl-7-fluoro-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-methyl-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-N-cyclopropyl-7-fluoro-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-fluoro-4-(methylamino)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-methyl-4-(methylamino)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;methane
CID 158629159
2-[4-amino-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane
CID 159124754
4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide
CID 160959862

Frequently Asked Questions

What is the IUPAC name of 2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane?
The IUPAC name of 2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane (CID 162072339) is 2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane.
What is the SMILES notation for 2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane?
The canonical SMILES for 2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane is C.C.C.C.C.C.CCCCNC(=O)c1csc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2C)n1.CCCCNC(=O)c1csc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2F)n1.CCCCNC(=O)c1csc(-c2cc3c(NC4C5CC4C5)c(C(=O)NC4CC4)cnc3cc2F)n1.CCCCNC(=O)c1csc(-c2cc3c(NCc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2C)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2F)n1.
What is the InChIKey of 2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane?
The InChIKey is ZBGHMOCNUWCUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3S.C28H29N5O2S.C27H26FN5O2S.C26H28FN5O2S.C23H27N5O2S.C22H24FN5O2S.6CH4/c1-2-3-11-30-28(37)25-17-38-29(34-25)21-13-22-24(12-19(21)16-35)31-15-23(27(36)33-20-9-10-20)26(22)32-14-18-7-5-4-6-8-18;1-3-4-12-29-27(35)24-16-36-28(33-24)20-14-21-23(13-17(20)2)30-15-22(26(34)32-19-10-11-19)25(21)31-18-8-6-5-7-9-18;1-2-3-11-29-26(35)23-15-36-27(33-23)18-12-19-22(13-21(18)28)30-14-20(25(34)32-17-9-10-17)24(19)31-16-7-5-4-6-8-16;1-2-3-6-28-25(34)21-12-35-26(31-21)16-9-17-20(10-19(16)27)29-11-18(24(33)30-15-4-5-15)23(17)32-22-13-7-14(22)8-13;1-4-5-8-25-22(30)19-12-31-23(28-19)15-10-16-18(9-13(15)2)26-11-17(20(16)24-3)21(29)27-14-6-7-14;1-3-4-7-25-21(30)18-11-31-22(28-18)13-8-14-17(9-16(13)23)26-10-15(19(14)24-2)20(29)27-12-5-6-12;;;;;;/h4-8,12-13,15,17,20,35H,2-3,9-11,14,16H2,1H3,(H,30,37)(H,31,32)(H,33,36);5-9,13-16,19H,3-4,10-12H2,1-2H3,(H,29,35)(H,30,31)(H,32,34);4-8,12-15,17H,2-3,9-11H2,1H3,(H,29,35)(H,30,31)(H,32,34);9-15,22H,2-8H2,1H3,(H,28,34)(H,29,32)(H,30,33);9-12,14H,4-8H2,1-3H3,(H,24,26)(H,25,30)(H,27,29);8-12H,3-7H2,1-2H3,(H,24,26)(H,25,30)(H,27,29);6*1H4.
What are the key properties of 2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane?
2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane has a molecular weight of 3001.88 g/mol, XLogP of 33.03, 54 rotatable bonds, 19 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-anilino-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-anilino-3-(cyclopropylcarbamoyl)-7-methylquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(benzylamino)-3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)quinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;2-[4-(2-bicyclo[1.1.1]pentanylamino)-3-(cyclopropylcarbamoyl)-7-fluoroquinolin-6-yl]-N-butyl-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-fluoro-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;N-butyl-2-[3-(cyclopropylcarbamoyl)-7-methyl-4-(methylamino)quinolin-6-yl]-1,3-thiazole-4-carboxamide;methane is sourced from PubChem (CID 162072339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).