4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane

C142H183FN16O23S6 — CID 158382585

IUPAC4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane
SMILESC.C.C.C.CCCS(=O)(=O)CCc1cc2c(N)c(C(=O)NC3CC3)cnc2cc1CO.CCCS(=O)(=O)CCc1cc2c(NC)c(C(=O)NC3CC3)cnc2cc1CO.CCCS(=O)(=O)CCc1cc2c(NCc3ccc(OC)cc3)c(C(=O)NC3CC3)cnc2cc1CO.CCCS(=O)(=O)CCc1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1C.CCCS(=O)(=O)CCc1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1F.CCCS(=O)(=O)CCc1cc2c(Nc3ccccc3)c(C(=O)NC3CC3)cnc2cc1CO
InChIInChI=1S/C27H33N3O5S.C25H29N3O4S.C24H28N2O3S.C23H25FN2O3S.C20H27N3O4S.C19H25N3O4S.4CH4/c1-3-11-36(33,34)12-10-19-13-23-25(14-20(19)17-31)28-16-24(27(32)30-21-6-7-21)26(23)29-15-18-4-8-22(35-2)9-5-18;1-2-11-33(31,32)12-10-17-13-21-23(14-18(17)16-29)26-15-22(25(30)28-20-8-9-20)24(21)27-19-6-4-3-5-7-19;1-4-12-30(28,29)13-11-18-15-20-22(14-17(18)3)25-16-21(23(27)5-2)24(20)26-19-9-7-6-8-10-19;1-3-11-30(28,29)12-10-16-13-18-21(14-20(16)24)25-15-19(22(27)4-2)23(18)26-17-8-6-5-7-9-17;1-3-7-28(26,27)8-6-13-9-16-18(10-14(13)12-24)22-11-17(19(16)21-2)20(25)23-15-4-5-15;1-2-6-27(25,26)7-5-12-8-15-17(9-13(12)11-23)21-10-16(18(15)20)19(24)22-14-3-4-14;;;;/h4-5,8-9,13-14,16,21,31H,3,6-7,10-12,15,17H2,1-2H3,(H,28,29)(H,30,32);3-7,13-15,20,29H,2,8-12,16H2,1H3,(H,26,27)(H,28,30);6-10,14-16H,4-5,11-13H2,1-3H3,(H,25,26);5-9,13-15H,3-4,10-12H2,1-2H3,(H,25,26);9-11,15,24H,3-8,12H2,1-2H3,(H,21,22)(H,23,25);8-10,14,23H,2-7,11H2,1H3,(H2,20,21)(H,22,24);4*1H4
InChIKeyGVZCHQHMEFBKGM-UHFFFAOYSA-N
MW2693.51 g/mol
LogP23.80
Rot. Bonds57

About 4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane

4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane (PubChem CID 158382585) has the molecular formula C142H183FN16O23S6 and a molecular weight of 2693.51 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane
PubChem CID158382585
Molecular FormulaC142H183FN16O23S6
Molecular Weight2693.51 g/mol
Exact Mass2691.20
IUPAC Name4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane
SMILESC.C.C.C.CCCS(=O)(=O)CCc1cc2c(N)c(C(=O)NC3CC3)cnc2cc1CO.CCCS(=O)(=O)CCc1cc2c(NC)c(C(=O)NC3CC3)cnc2cc1CO.CCCS(=O)(=O)CCc1cc2c(NCc3ccc(OC)cc3)c(C(=O)NC3CC3)cnc2cc1CO.CCCS(=O)(=O)CCc1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1C.CCCS(=O)(=O)CCc1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1F.CCCS(=O)(=O)CCc1cc2c(Nc3ccccc3)c(C(=O)NC3CC3)cnc2cc1CO
InChIInChI=1S/C27H33N3O5S.C25H29N3O4S.C24H28N2O3S.C23H25FN2O3S.C20H27N3O4S.C19H25N3O4S.4CH4/c1-3-11-36(33,34)12-10-19-13-23-25(14-20(19)17-31)28-16-24(27(32)30-21-6-7-21)26(23)29-15-18-4-8-22(35-2)9-5-18;1-2-11-33(31,32)12-10-17-13-21-23(14-18(17)16-29)26-15-22(25(30)28-20-8-9-20)24(21)27-19-6-4-3-5-7-19;1-4-12-30(28,29)13-11-18-15-20-22(14-17(18)3)25-16-21(23(27)5-2)24(20)26-19-9-7-6-8-10-19;1-3-11-30(28,29)12-10-16-13-18-21(14-20(16)24)25-15-19(22(27)4-2)23(18)26-17-8-6-5-7-9-17;1-3-7-28(26,27)8-6-13-9-16-18(10-14(13)12-24)22-11-17(19(16)21-2)20(25)23-15-4-5-15;1-2-6-27(25,26)7-5-12-8-15-17(9-13(12)11-23)21-10-16(18(15)20)19(24)22-14-3-4-14;;;;/h4-5,8-9,13-14,16,21,31H,3,6-7,10-12,15,17H2,1-2H3,(H,28,29)(H,30,32);3-7,13-15,20,29H,2,8-12,16H2,1H3,(H,26,27)(H,28,30);6-10,14-16H,4-5,11-13H2,1-3H3,(H,25,26);5-9,13-15H,3-4,10-12H2,1-2H3,(H,25,26);9-11,15,24H,3-8,12H2,1-2H3,(H,21,22)(H,23,25);8-10,14,23H,2-7,11H2,1H3,(H2,20,21)(H,22,24);4*1H4
InChIKeyGVZCHQHMEFBKGM-UHFFFAOYSA-N
XLogP23.80
TPSA609.04 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds57
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002693.51
LogP ≤ 523.80
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Analyze 4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane with MolForge

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Related Compounds

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-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide
CID 157623718
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
5-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxamide
CID 158323015
4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide
CID 159830544
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]piperidine-1-carboxamide
CID 160051063
5-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyrazine-2-carboxamide
CID 160157081
6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide
CID 160903740
4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide
CID 160920022
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
5-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-2-carboxamide;5-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-2-carboxamide;5-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-2-carboxamide
CID 161644717
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide
CID 162057637

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane?
The IUPAC name of 4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane (CID 158382585) is 4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane.
What is the SMILES notation for 4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane?
The canonical SMILES for 4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane is C.C.C.C.CCCS(=O)(=O)CCc1cc2c(N)c(C(=O)NC3CC3)cnc2cc1CO.CCCS(=O)(=O)CCc1cc2c(NC)c(C(=O)NC3CC3)cnc2cc1CO.CCCS(=O)(=O)CCc1cc2c(NCc3ccc(OC)cc3)c(C(=O)NC3CC3)cnc2cc1CO.CCCS(=O)(=O)CCc1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1C.CCCS(=O)(=O)CCc1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1F.CCCS(=O)(=O)CCc1cc2c(Nc3ccccc3)c(C(=O)NC3CC3)cnc2cc1CO.
What is the InChIKey of 4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane?
The InChIKey is GVZCHQHMEFBKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5S.C25H29N3O4S.C24H28N2O3S.C23H25FN2O3S.C20H27N3O4S.C19H25N3O4S.4CH4/c1-3-11-36(33,34)12-10-19-13-23-25(14-20(19)17-31)28-16-24(27(32)30-21-6-7-21)26(23)29-15-18-4-8-22(35-2)9-5-18;1-2-11-33(31,32)12-10-17-13-21-23(14-18(17)16-29)26-15-22(25(30)28-20-8-9-20)24(21)27-19-6-4-3-5-7-19;1-4-12-30(28,29)13-11-18-15-20-22(14-17(18)3)25-16-21(23(27)5-2)24(20)26-19-9-7-6-8-10-19;1-3-11-30(28,29)12-10-16-13-18-21(14-20(16)24)25-15-19(22(27)4-2)23(18)26-17-8-6-5-7-9-17;1-3-7-28(26,27)8-6-13-9-16-18(10-14(13)12-24)22-11-17(19(16)21-2)20(25)23-15-4-5-15;1-2-6-27(25,26)7-5-12-8-15-17(9-13(12)11-23)21-10-16(18(15)20)19(24)22-14-3-4-14;;;;/h4-5,8-9,13-14,16,21,31H,3,6-7,10-12,15,17H2,1-2H3,(H,28,29)(H,30,32);3-7,13-15,20,29H,2,8-12,16H2,1H3,(H,26,27)(H,28,30);6-10,14-16H,4-5,11-13H2,1-3H3,(H,25,26);5-9,13-15H,3-4,10-12H2,1-2H3,(H,25,26);9-11,15,24H,3-8,12H2,1-2H3,(H,21,22)(H,23,25);8-10,14,23H,2-7,11H2,1H3,(H2,20,21)(H,22,24);4*1H4.
What are the key properties of 4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane?
4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane has a molecular weight of 2693.51 g/mol, XLogP of 23.80, 57 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfonylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane is sourced from PubChem (CID 158382585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).