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

C170H188FN27O17S6 — CID 158094106

IUPAC2-[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
SMILESC.C.C.CCCCNC(=O)c1csc(-c2cc3c(NCc4ccc(CO)cc4)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2C)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2CO)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2F)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)NC(C)(C)C)cnc3cc2CO)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)n1
InChIInChI=1S/C30H33N5O4S.C29H33N5O3S.C28H29N5O3S.C27H28N4O3S.C27H28N4O2S.C26H25FN4O2S.3CH4/c1-2-3-10-31-29(39)26-17-40-30(35-26)22-12-23-25(11-20(22)16-37)32-14-24(28(38)34-21-8-9-21)27(23)33-13-18-4-6-19(15-36)7-5-18;1-5-6-12-30-27(37)24-17-38-28(33-24)20-14-21-23(13-18(20)16-35)31-15-22(26(36)34-29(2,3)4)25(21)32-19-10-8-7-9-11-19;1-2-3-11-29-27(36)24-16-37-28(33-24)20-13-21-23(12-17(20)15-34)30-14-22(26(35)32-19-9-10-19)25(21)31-18-7-5-4-6-8-18;1-3-5-11-28-26(34)23-16-35-27(31-23)19-13-20-22(12-17(19)15-32)29-14-21(24(33)4-2)25(20)30-18-9-7-6-8-10-18;1-4-6-12-28-26(33)23-16-34-27(31-23)19-14-20-22(13-17(19)3)29-15-21(24(32)5-2)25(20)30-18-10-8-7-9-11-18;1-3-5-11-28-25(33)22-15-34-26(31-22)17-12-18-21(13-20(17)27)29-14-19(23(32)4-2)24(18)30-16-9-7-6-8-10-16;;;/h4-7,11-12,14,17,21,36-37H,2-3,8-10,13,15-16H2,1H3,(H,31,39)(H,32,33)(H,34,38);7-11,13-15,17,35H,5-6,12,16H2,1-4H3,(H,30,37)(H,31,32)(H,34,36);4-8,12-14,16,19,34H,2-3,9-11,15H2,1H3,(H,29,36)(H,30,31)(H,32,35);6-10,12-14,16,32H,3-5,11,15H2,1-2H3,(H,28,34)(H,29,30);7-11,13-16H,4-6,12H2,1-3H3,(H,28,33)(H,29,30);6-10,12-15H,3-5,11H2,1-2H3,(H,28,33)(H,29,30);3*1H4
InChIKeyFOLRHLQQGJHMBJ-UHFFFAOYSA-N
MW3092.95 g/mol
LogP35.57
Rot. Bonds59

About 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

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 (PubChem CID 158094106) has the molecular formula C170H188FN27O17S6 and a molecular weight of 3092.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158094106
Molecular FormulaC170H188FN27O17S6
Molecular Weight3092.95 g/mol
Exact Mass3090.30
IUPAC Name2-[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
SMILESC.C.C.CCCCNC(=O)c1csc(-c2cc3c(NCc4ccc(CO)cc4)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2C)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2CO)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2F)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)NC(C)(C)C)cnc3cc2CO)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)n1
InChIInChI=1S/C30H33N5O4S.C29H33N5O3S.C28H29N5O3S.C27H28N4O3S.C27H28N4O2S.C26H25FN4O2S.3CH4/c1-2-3-10-31-29(39)26-17-40-30(35-26)22-12-23-25(11-20(22)16-37)32-14-24(28(38)34-21-8-9-21)27(23)33-13-18-4-6-19(15-36)7-5-18;1-5-6-12-30-27(37)24-17-38-28(33-24)20-14-21-23(13-18(20)16-35)31-15-22(26(36)34-29(2,3)4)25(21)32-19-10-8-7-9-11-19;1-2-3-11-29-27(36)24-16-37-28(33-24)20-13-21-23(12-17(20)15-34)30-14-22(26(35)32-19-9-10-19)25(21)31-18-7-5-4-6-8-18;1-3-5-11-28-26(34)23-16-35-27(31-23)19-13-20-22(12-17(19)15-32)29-14-21(24(33)4-2)25(20)30-18-9-7-6-8-10-18;1-4-6-12-28-26(33)23-16-34-27(31-23)19-14-20-22(13-17(19)3)29-15-21(24(32)5-2)25(20)30-18-10-8-7-9-11-18;1-3-5-11-28-25(33)22-15-34-26(31-22)17-12-18-21(13-20(17)27)29-14-19(23(32)4-2)24(18)30-16-9-7-6-8-10-16;;;/h4-7,11-12,14,17,21,36-37H,2-3,8-10,13,15-16H2,1H3,(H,31,39)(H,32,33)(H,34,38);7-11,13-15,17,35H,5-6,12,16H2,1-4H3,(H,30,37)(H,31,32)(H,34,36);4-8,12-14,16,19,34H,2-3,9-11,15H2,1H3,(H,29,36)(H,30,31)(H,32,35);6-10,12-14,16,32H,3-5,11,15H2,1-2H3,(H,28,34)(H,29,30);7-11,13-16H,4-6,12H2,1-3H3,(H,28,33)(H,29,30);6-10,12-15H,3-5,11H2,1-2H3,(H,28,33)(H,29,30);3*1H4
InChIKeyFOLRHLQQGJHMBJ-UHFFFAOYSA-N
XLogP35.57
TPSA641.12 Ų
H-Bond Donors20
H-Bond Acceptors41
Rotatable Bonds59
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003092.95
LogP ≤ 535.57
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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-4-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[3-(hydroxymethyl)anilino]quinoline-3-carboxamide;6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide
CID 160180585
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
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
N-butyl-2-[3-(cyclopropylcarbamoyl)-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinolin-6-yl]-1,3-thiazole-4-carboxamide
CID 158094112

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.CCCCNC(=O)c1csc(-c2cc3c(NCc4ccc(CO)cc4)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2C)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2CO)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2F)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)NC(C)(C)C)cnc3cc2CO)n1.CCCCNC(=O)c1csc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)n1.
What is the InChIKey of 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?
The InChIKey is FOLRHLQQGJHMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O4S.C29H33N5O3S.C28H29N5O3S.C27H28N4O3S.C27H28N4O2S.C26H25FN4O2S.3CH4/c1-2-3-10-31-29(39)26-17-40-30(35-26)22-12-23-25(11-20(22)16-37)32-14-24(28(38)34-21-8-9-21)27(23)33-13-18-4-6-19(15-36)7-5-18;1-5-6-12-30-27(37)24-17-38-28(33-24)20-14-21-23(13-18(20)16-35)31-15-22(26(36)34-29(2,3)4)25(21)32-19-10-8-7-9-11-19;1-2-3-11-29-27(36)24-16-37-28(33-24)20-13-21-23(12-17(20)15-34)30-14-22(26(35)32-19-9-10-19)25(21)31-18-7-5-4-6-8-18;1-3-5-11-28-26(34)23-16-35-27(31-23)19-13-20-22(12-17(19)15-32)29-14-21(24(33)4-2)25(20)30-18-9-7-6-8-10-18;1-4-6-12-28-26(33)23-16-34-27(31-23)19-14-20-22(13-17(19)3)29-15-21(24(32)5-2)25(20)30-18-10-8-7-9-11-18;1-3-5-11-28-25(33)22-15-34-26(31-22)17-12-18-21(13-20(17)27)29-14-19(23(32)4-2)24(18)30-16-9-7-6-8-10-16;;;/h4-7,11-12,14,17,21,36-37H,2-3,8-10,13,15-16H2,1H3,(H,31,39)(H,32,33)(H,34,38);7-11,13-15,17,35H,5-6,12,16H2,1-4H3,(H,30,37)(H,31,32)(H,34,36);4-8,12-14,16,19,34H,2-3,9-11,15H2,1H3,(H,29,36)(H,30,31)(H,32,35);6-10,12-14,16,32H,3-5,11,15H2,1-2H3,(H,28,34)(H,29,30);7-11,13-16H,4-6,12H2,1-3H3,(H,28,33)(H,29,30);6-10,12-15H,3-5,11H2,1-2H3,(H,28,33)(H,29,30);3*1H4.
What are the key properties of 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?
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 has a molecular weight of 3092.95 g/mol, XLogP of 35.57, 59 rotatable bonds, 20 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158094106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).