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

C143H189F3N18O13S6 — CID 158629159

IUPAC4-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
SMILESC.C.C.C.C.C.CCCS(=O)CCc1cc2c(NC)c(C(=O)NC3CC3)cnc2cc1C.CCCS(=O)CCc1cc2c(NC)c(C(=O)NC3CC3)cnc2cc1F.CCCS(=O)CCc1cc2c(NC3C4CC3C4)c(C(=O)NC3CC3)cnc2cc1F.CCCS(=O)CCc1cc2c(NCc3ccccc3)c(C(=O)NC3CC3)cnc2cc1CO.CCCS(=O)CCc1cc2c(Nc3ccccc3)c(C(=O)NC3CC3)cnc2cc1C.CCCS(=O)CCc1cc2c(Nc3ccccc3)c(C(=O)NC3CC3)cnc2cc1F
InChIInChI=1S/C26H31N3O3S.C25H29N3O2S.C24H26FN3O2S.C23H28FN3O2S.C20H27N3O2S.C19H24FN3O2S.6CH4/c1-2-11-33(32)12-10-19-13-22-24(14-20(19)17-30)27-16-23(26(31)29-21-8-9-21)25(22)28-15-18-6-4-3-5-7-18;1-3-12-31(30)13-11-18-15-21-23(14-17(18)2)26-16-22(25(29)28-20-9-10-20)24(21)27-19-7-5-4-6-8-19;1-2-11-31(30)12-10-16-13-19-22(14-21(16)25)26-15-20(24(29)28-18-8-9-18)23(19)27-17-6-4-3-5-7-17;1-2-6-30(29)7-5-13-10-17-20(11-19(13)24)25-12-18(23(28)26-16-3-4-16)22(17)27-21-14-8-15(21)9-14;1-4-8-26(25)9-7-14-11-16-18(10-13(14)2)22-12-17(19(16)21-3)20(24)23-15-5-6-15;1-3-7-26(25)8-6-12-9-14-17(10-16(12)20)22-11-15(18(14)21-2)19(24)23-13-4-5-13;;;;;;/h3-7,13-14,16,21,30H,2,8-12,15,17H2,1H3,(H,27,28)(H,29,31);4-8,14-16,20H,3,9-13H2,1-2H3,(H,26,27)(H,28,29);3-7,13-15,18H,2,8-12H2,1H3,(H,26,27)(H,28,29);10-12,14-16,21H,2-9H2,1H3,(H,25,27)(H,26,28);10-12,15H,4-9H2,1-3H3,(H,21,22)(H,23,24);9-11,13H,3-8H2,1-2H3,(H,21,22)(H,23,24);6*1H4
InChIKeyHYYZJDYNTMEVRM-UHFFFAOYSA-N
MW2617.59 g/mol
LogP27.32
Rot. Bonds54

About 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

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 (PubChem CID 158629159) has the molecular formula C143H189F3N18O13S6 and a molecular weight of 2617.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID158629159
Molecular FormulaC143H189F3N18O13S6
Molecular Weight2617.59 g/mol
Exact Mass2615.30
IUPAC Name4-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
SMILESC.C.C.C.C.C.CCCS(=O)CCc1cc2c(NC)c(C(=O)NC3CC3)cnc2cc1C.CCCS(=O)CCc1cc2c(NC)c(C(=O)NC3CC3)cnc2cc1F.CCCS(=O)CCc1cc2c(NC3C4CC3C4)c(C(=O)NC3CC3)cnc2cc1F.CCCS(=O)CCc1cc2c(NCc3ccccc3)c(C(=O)NC3CC3)cnc2cc1CO.CCCS(=O)CCc1cc2c(Nc3ccccc3)c(C(=O)NC3CC3)cnc2cc1C.CCCS(=O)CCc1cc2c(Nc3ccccc3)c(C(=O)NC3CC3)cnc2cc1F
InChIInChI=1S/C26H31N3O3S.C25H29N3O2S.C24H26FN3O2S.C23H28FN3O2S.C20H27N3O2S.C19H24FN3O2S.6CH4/c1-2-11-33(32)12-10-19-13-22-24(14-20(19)17-30)27-16-23(26(31)29-21-8-9-21)25(22)28-15-18-6-4-3-5-7-18;1-3-12-31(30)13-11-18-15-21-23(14-17(18)2)26-16-22(25(29)28-20-9-10-20)24(21)27-19-7-5-4-6-8-19;1-2-11-31(30)12-10-16-13-19-22(14-21(16)25)26-15-20(24(29)28-18-8-9-18)23(19)27-17-6-4-3-5-7-17;1-2-6-30(29)7-5-13-10-17-20(11-19(13)24)25-12-18(23(28)26-16-3-4-16)22(17)27-21-14-8-15(21)9-14;1-4-8-26(25)9-7-14-11-16-18(10-13(14)2)22-12-17(19(16)21-3)20(24)23-15-5-6-15;1-3-7-26(25)8-6-12-9-14-17(10-16(12)20)22-11-15(18(14)21-2)19(24)23-13-4-5-13;;;;;;/h3-7,13-14,16,21,30H,2,8-12,15,17H2,1H3,(H,27,28)(H,29,31);4-8,14-16,20H,3,9-13H2,1-2H3,(H,26,27)(H,28,29);3-7,13-15,18H,2,8-12H2,1H3,(H,26,27)(H,28,29);10-12,14-16,21H,2-9H2,1H3,(H,25,27)(H,26,28);10-12,15H,4-9H2,1-3H3,(H,21,22)(H,23,24);9-11,13H,3-8H2,1-2H3,(H,21,22)(H,23,24);6*1H4
InChIKeyHYYZJDYNTMEVRM-UHFFFAOYSA-N
XLogP27.32
TPSA446.77 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds54
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002617.59
LogP ≤ 527.32
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Analyze 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 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-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfinylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfinylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;methane
CID 157263868
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
4-anilino-N-tert-butyl-7-(hydroxymethyl)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;1-[4-anilino-7-(hydroxymethyl)-6-(2-propylsulfinylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(2-propylsulfinylethyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(2-propylsulfinylethyl)quinolin-3-yl]propan-1-one;methane
CID 157743949
4-anilino-6-(6-butoxy-3-pyridinyl)-N-tert-butylquinoline-3-carboxamide;4-anilino-6-(6-butoxy-3-pyridinyl)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(6-butoxy-3-pyridinyl)quinolin-3-yl]butan-1-one;1-[4-(benzylamino)-6-(6-butoxy-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-(6-butoxy-3-pyridinyl)-7-fluoroquinolin-3-yl]-2-cyclopropylethanone
CID 157952873
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-(3-Acetyl-4-anilinoquinolin-6-yl)-2-fluorophenyl]heptan-4-one;2-[4-[4-anilino-7-(hydroxymethyl)-3-propanoylquinolin-6-yl]-2-fluorophenyl]heptan-4-one;2-[4-(4-anilino-3-propanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one
CID 158140396
4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one
CID 158224317
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
4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone
CID 158406379
4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane
CID 158723011

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.C.CCCS(=O)CCc1cc2c(NC)c(C(=O)NC3CC3)cnc2cc1C.CCCS(=O)CCc1cc2c(NC)c(C(=O)NC3CC3)cnc2cc1F.CCCS(=O)CCc1cc2c(NC3C4CC3C4)c(C(=O)NC3CC3)cnc2cc1F.CCCS(=O)CCc1cc2c(NCc3ccccc3)c(C(=O)NC3CC3)cnc2cc1CO.CCCS(=O)CCc1cc2c(Nc3ccccc3)c(C(=O)NC3CC3)cnc2cc1C.CCCS(=O)CCc1cc2c(Nc3ccccc3)c(C(=O)NC3CC3)cnc2cc1F.
What is the InChIKey of 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?
The InChIKey is HYYZJDYNTMEVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S.C25H29N3O2S.C24H26FN3O2S.C23H28FN3O2S.C20H27N3O2S.C19H24FN3O2S.6CH4/c1-2-11-33(32)12-10-19-13-22-24(14-20(19)17-30)27-16-23(26(31)29-21-8-9-21)25(22)28-15-18-6-4-3-5-7-18;1-3-12-31(30)13-11-18-15-21-23(14-17(18)2)26-16-22(25(29)28-20-9-10-20)24(21)27-19-7-5-4-6-8-19;1-2-11-31(30)12-10-16-13-19-22(14-21(16)25)26-15-20(24(29)28-18-8-9-18)23(19)27-17-6-4-3-5-7-17;1-2-6-30(29)7-5-13-10-17-20(11-19(13)24)25-12-18(23(28)26-16-3-4-16)22(17)27-21-14-8-15(21)9-14;1-4-8-26(25)9-7-14-11-16-18(10-13(14)2)22-12-17(19(16)21-3)20(24)23-15-5-6-15;1-3-7-26(25)8-6-12-9-14-17(10-16(12)20)22-11-15(18(14)21-2)19(24)23-13-4-5-13;;;;;;/h3-7,13-14,16,21,30H,2,8-12,15,17H2,1H3,(H,27,28)(H,29,31);4-8,14-16,20H,3,9-13H2,1-2H3,(H,26,27)(H,28,29);3-7,13-15,18H,2,8-12H2,1H3,(H,26,27)(H,28,29);10-12,14-16,21H,2-9H2,1H3,(H,25,27)(H,26,28);10-12,15H,4-9H2,1-3H3,(H,21,22)(H,23,24);9-11,13H,3-8H2,1-2H3,(H,21,22)(H,23,24);6*1H4.
What are the key properties of 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?
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 has a molecular weight of 2617.59 g/mol, XLogP of 27.32, 54 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158629159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).