N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

C204H199ClF5N27O31S7 — CID 158497825

IUPACN-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCC(C)COc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COc1cc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc(OC)c1OC.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1F.COc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1OC.Cc1cc(C(=O)N2CCN(C(=O)c3cc(F)ccn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3cncc(Cl)c3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C32H35N3O4S.C31H33N3O6S.C30H31N3O5S.C29H28FN3O4S.C28H24F3N5O4S.C27H24ClN5O4S.C27H24FN5O4S/c1-24(2)22-39-29-9-3-6-26(20-29)21-34-16-18-35(19-17-34)32(36)28-13-11-25(12-14-28)23-40(37,38)30-10-4-7-27-8-5-15-33-31(27)30;1-38-26-18-23(19-27(39-2)30(26)40-3)20-33-14-16-34(17-15-33)31(35)25-11-9-22(10-12-25)21-41(36,37)28-8-4-6-24-7-5-13-32-29(24)28;1-37-26-9-3-7-25(29(26)38-2)20-32-16-18-33(19-17-32)30(34)24-13-11-22(12-14-24)21-39(35,36)27-10-4-6-23-8-5-15-31-28(23)27;1-37-26-12-9-22(18-25(26)30)19-32-14-16-33(17-15-32)29(34)24-10-7-21(8-11-24)20-38(35,36)27-6-2-4-23-5-3-13-31-28(23)27;1-18-16-20(7-8-23(18)34-41(39,40)24-6-2-4-19-5-3-10-33-25(19)24)26(37)35-12-14-36(15-13-35)27(38)21-17-32-11-9-22(21)28(29,30)31;1-18-14-20(26(34)32-10-12-33(13-11-32)27(35)21-15-22(28)17-29-16-21)7-8-23(18)31-38(36,37)24-6-2-4-19-5-3-9-30-25(19)24;1-18-16-20(26(34)32-12-14-33(15-13-32)27(35)23-17-21(28)9-11-29-23)7-8-22(18)31-38(36,37)24-6-2-4-19-5-3-10-30-25(19)24/h3-15,20,24H,16-19,21-23H2,1-2H3;4-13,18-19H,14-17,20-21H2,1-3H3;3-15H,16-21H2,1-2H3;2-13,18H,14-17,19-20H2,1H3;2-11,16-17,34H,12-15H2,1H3;2-9,14-17,31H,10-13H2,1H3;2-11,16-17,31H,12-15H2,1H3
InChIKeyHJMXTLCDWUXCMX-UHFFFAOYSA-N
MW3879.91 g/mol
LogP29.72
Rot. Bonds48

About N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 158497825) has the molecular formula C204H199ClF5N27O31S7 and a molecular weight of 3879.91 g/mol. Its IUPAC name is N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound NameN-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID158497825
Molecular FormulaC204H199ClF5N27O31S7
Molecular Weight3879.91 g/mol
Exact Mass3876.25
IUPAC NameN-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCC(C)COc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COc1cc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc(OC)c1OC.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1F.COc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1OC.Cc1cc(C(=O)N2CCN(C(=O)c3cc(F)ccn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3cncc(Cl)c3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C32H35N3O4S.C31H33N3O6S.C30H31N3O5S.C29H28FN3O4S.C28H24F3N5O4S.C27H24ClN5O4S.C27H24FN5O4S/c1-24(2)22-39-29-9-3-6-26(20-29)21-34-16-18-35(19-17-34)32(36)28-13-11-25(12-14-28)23-40(37,38)30-10-4-7-27-8-5-15-33-31(27)30;1-38-26-18-23(19-27(39-2)30(26)40-3)20-33-14-16-34(17-15-33)31(35)25-11-9-22(10-12-25)21-41(36,37)28-8-4-6-24-7-5-13-32-29(24)28;1-37-26-9-3-7-25(29(26)38-2)20-32-16-18-33(19-17-32)30(34)24-13-11-22(12-14-24)21-39(35,36)27-10-4-6-23-8-5-15-31-28(23)27;1-37-26-12-9-22(18-25(26)30)19-32-14-16-33(17-15-32)29(34)24-10-7-21(8-11-24)20-38(35,36)27-6-2-4-23-5-3-13-31-28(23)27;1-18-16-20(7-8-23(18)34-41(39,40)24-6-2-4-19-5-3-10-33-25(19)24)26(37)35-12-14-36(15-13-35)27(38)21-17-32-11-9-22(21)28(29,30)31;1-18-14-20(26(34)32-10-12-33(13-11-32)27(35)21-15-22(28)17-29-16-21)7-8-23(18)31-38(36,37)24-6-2-4-19-5-3-9-30-25(19)24;1-18-16-20(26(34)32-12-14-33(15-13-32)27(35)23-17-21(28)9-11-29-23)7-8-22(18)31-38(36,37)24-6-2-4-19-5-3-10-30-25(19)24/h3-15,20,24H,16-19,21-23H2,1-2H3;4-13,18-19H,14-17,20-21H2,1-3H3;3-15H,16-21H2,1-2H3;2-13,18H,14-17,19-20H2,1H3;2-11,16-17,34H,12-15H2,1H3;2-9,14-17,31H,10-13H2,1H3;2-11,16-17,31H,12-15H2,1H3
InChIKeyHJMXTLCDWUXCMX-UHFFFAOYSA-N
XLogP29.72
TPSA684.64 Ų
H-Bond Donors3
H-Bond Acceptors45
Rotatable Bonds48
Heavy Atoms275
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003879.91
LogP ≤ 529.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1045

Analyze N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 162206633
N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate
CID 162132940
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 149242846
N-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 59635197
N-[4-[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634753
[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59634824
N-[2-methoxy-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634765
[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59635033
N-[4-[4-[(3,5-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 67504938
N-[2-methyl-4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634797
N-[4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 67505105
N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide
CID 67505065

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 158497825) is N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is CC(C)COc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COc1cc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc(OC)c1OC.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1F.COc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1OC.Cc1cc(C(=O)N2CCN(C(=O)c3cc(F)ccn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3cncc(Cl)c3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is HJMXTLCDWUXCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O4S.C31H33N3O6S.C30H31N3O5S.C29H28FN3O4S.C28H24F3N5O4S.C27H24ClN5O4S.C27H24FN5O4S/c1-24(2)22-39-29-9-3-6-26(20-29)21-34-16-18-35(19-17-34)32(36)28-13-11-25(12-14-28)23-40(37,38)30-10-4-7-27-8-5-15-33-31(27)30;1-38-26-18-23(19-27(39-2)30(26)40-3)20-33-14-16-34(17-15-33)31(35)25-11-9-22(10-12-25)21-41(36,37)28-8-4-6-24-7-5-13-32-29(24)28;1-37-26-9-3-7-25(29(26)38-2)20-32-16-18-33(19-17-32)30(34)24-13-11-22(12-14-24)21-39(35,36)27-10-4-6-23-8-5-15-31-28(23)27;1-37-26-12-9-22(18-25(26)30)19-32-14-16-33(17-15-32)29(34)24-10-7-21(8-11-24)20-38(35,36)27-6-2-4-23-5-3-13-31-28(23)27;1-18-16-20(7-8-23(18)34-41(39,40)24-6-2-4-19-5-3-10-33-25(19)24)26(37)35-12-14-36(15-13-35)27(38)21-17-32-11-9-22(21)28(29,30)31;1-18-14-20(26(34)32-10-12-33(13-11-32)27(35)21-15-22(28)17-29-16-21)7-8-23(18)31-38(36,37)24-6-2-4-19-5-3-9-30-25(19)24;1-18-16-20(26(34)32-12-14-33(15-13-32)27(35)23-17-21(28)9-11-29-23)7-8-22(18)31-38(36,37)24-6-2-4-19-5-3-10-30-25(19)24/h3-15,20,24H,16-19,21-23H2,1-2H3;4-13,18-19H,14-17,20-21H2,1-3H3;3-15H,16-21H2,1-2H3;2-13,18H,14-17,19-20H2,1H3;2-11,16-17,34H,12-15H2,1H3;2-9,14-17,31H,10-13H2,1H3;2-11,16-17,31H,12-15H2,1H3.
What are the key properties of N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 3879.91 g/mol, XLogP of 29.72, 48 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 158497825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).