N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone

C195H177Cl3F10N32O29S7 — CID 159633227

IUPACN-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3ccc(F)cn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3cncc(Cl)c3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3cncc(Cl)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3cnccc3C(F)(F)F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ncccc3C(F)(F)F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/2C29H27F3N4O3S.C28H27ClN4O3S.C28H24F3N5O5S.2C27H24ClN5O5S.C27H24FN5O5S/c1-20-17-22(9-10-23(20)19-40(38,39)26-8-2-5-21-6-3-12-34-27(21)26)28(37)36-15-13-35(14-16-36)18-25-24(29(30,31)32)7-4-11-33-25;1-20-16-22(7-8-23(20)19-40(38,39)26-6-2-4-21-5-3-10-34-27(21)26)28(37)36-14-12-35(13-15-36)18-24-17-33-11-9-25(24)29(30,31)32;1-20-14-23(28(34)33-12-10-32(11-13-33)18-21-15-25(29)17-30-16-21)7-8-24(20)19-37(35,36)26-6-2-4-22-5-3-9-31-27(22)26;1-41-23-16-19(7-8-22(23)34-42(39,40)24-6-2-4-18-5-3-10-33-25(18)24)26(37)35-12-14-36(15-13-35)27(38)20-17-32-11-9-21(20)28(29,30)31;1-38-23-16-19(26(34)32-12-14-33(15-13-32)27(35)22-10-8-20(28)17-30-22)7-9-21(23)31-39(36,37)24-6-2-4-18-5-3-11-29-25(18)24;1-38-23-15-19(26(34)32-10-12-33(13-11-32)27(35)20-14-21(28)17-29-16-20)7-8-22(23)31-39(36,37)24-6-2-4-18-5-3-9-30-25(18)24;1-38-23-16-19(26(34)32-12-14-33(15-13-32)27(35)22-10-8-20(28)17-30-22)7-9-21(23)31-39(36,37)24-6-2-4-18-5-3-11-29-25(18)24/h2-12,17H,13-16,18-19H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;2-9,14-17H,10-13,18-19H2,1H3;2-11,16-17,34H,12-15H2,1H3;2-11,16-17,31H,12-15H2,1H3;2-9,14-17,31H,10-13H2,1H3;2-11,16-17,31H,12-15H2,1H3
InChIKeyMPKCJQMYPVWGLS-UHFFFAOYSA-N
MW3953.56 g/mol
LogP28.92
Rot. Bonds42

About N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone

N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone (PubChem CID 159633227) has the molecular formula C195H177Cl3F10N32O29S7 and a molecular weight of 3953.56 g/mol. Its IUPAC name is N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound NameN-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
PubChem CID159633227
Molecular FormulaC195H177Cl3F10N32O29S7
Molecular Weight3953.56 g/mol
Exact Mass3949.03
IUPAC NameN-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3ccc(F)cn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3cncc(Cl)c3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3cncc(Cl)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3cnccc3C(F)(F)F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ncccc3C(F)(F)F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/2C29H27F3N4O3S.C28H27ClN4O3S.C28H24F3N5O5S.2C27H24ClN5O5S.C27H24FN5O5S/c1-20-17-22(9-10-23(20)19-40(38,39)26-8-2-5-21-6-3-12-34-27(21)26)28(37)36-15-13-35(14-16-36)18-25-24(29(30,31)32)7-4-11-33-25;1-20-16-22(7-8-23(20)19-40(38,39)26-6-2-4-21-5-3-10-34-27(21)26)28(37)36-14-12-35(13-15-36)18-24-17-33-11-9-25(24)29(30,31)32;1-20-14-23(28(34)33-12-10-32(11-13-33)18-21-15-25(29)17-30-16-21)7-8-24(20)19-37(35,36)26-6-2-4-22-5-3-9-31-27(22)26;1-41-23-16-19(7-8-22(23)34-42(39,40)24-6-2-4-18-5-3-10-33-25(18)24)26(37)35-12-14-36(15-13-35)27(38)20-17-32-11-9-21(20)28(29,30)31;1-38-23-16-19(26(34)32-12-14-33(15-13-32)27(35)22-10-8-20(28)17-30-22)7-9-21(23)31-39(36,37)24-6-2-4-18-5-3-11-29-25(18)24;1-38-23-15-19(26(34)32-10-12-33(13-11-32)27(35)20-14-21(28)17-29-16-20)7-8-22(23)31-39(36,37)24-6-2-4-18-5-3-9-30-25(18)24;1-38-23-16-19(26(34)32-12-14-33(15-13-32)27(35)22-10-8-20(28)17-30-22)7-9-21(23)31-39(36,37)24-6-2-4-18-5-3-11-29-25(18)24/h2-12,17H,13-16,18-19H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;2-9,14-17H,10-13,18-19H2,1H3;2-11,16-17,34H,12-15H2,1H3;2-11,16-17,31H,12-15H2,1H3;2-9,14-17,31H,10-13H2,1H3;2-11,16-17,31H,12-15H2,1H3
InChIKeyMPKCJQMYPVWGLS-UHFFFAOYSA-N
XLogP28.92
TPSA737.61 Ų
H-Bond Donors4
H-Bond Acceptors46
Rotatable Bonds42
Heavy Atoms276
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003953.56
LogP ≤ 528.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1046

Analyze N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone (CID 159633227) is N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3ccc(F)cn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3cncc(Cl)c3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3cncc(Cl)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3cnccc3C(F)(F)F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ncccc3C(F)(F)F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone?
The InChIKey is MPKCJQMYPVWGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H27F3N4O3S.C28H27ClN4O3S.C28H24F3N5O5S.2C27H24ClN5O5S.C27H24FN5O5S/c1-20-17-22(9-10-23(20)19-40(38,39)26-8-2-5-21-6-3-12-34-27(21)26)28(37)36-15-13-35(14-16-36)18-25-24(29(30,31)32)7-4-11-33-25;1-20-16-22(7-8-23(20)19-40(38,39)26-6-2-4-21-5-3-10-34-27(21)26)28(37)36-14-12-35(13-15-36)18-24-17-33-11-9-25(24)29(30,31)32;1-20-14-23(28(34)33-12-10-32(11-13-33)18-21-15-25(29)17-30-16-21)7-8-24(20)19-37(35,36)26-6-2-4-22-5-3-9-31-27(22)26;1-41-23-16-19(7-8-22(23)34-42(39,40)24-6-2-4-18-5-3-10-33-25(18)24)26(37)35-12-14-36(15-13-35)27(38)20-17-32-11-9-21(20)28(29,30)31;1-38-23-16-19(26(34)32-12-14-33(15-13-32)27(35)22-10-8-20(28)17-30-22)7-9-21(23)31-39(36,37)24-6-2-4-18-5-3-11-29-25(18)24;1-38-23-15-19(26(34)32-10-12-33(13-11-32)27(35)20-14-21(28)17-29-16-20)7-8-22(23)31-39(36,37)24-6-2-4-18-5-3-9-30-25(18)24;1-38-23-16-19(26(34)32-12-14-33(15-13-32)27(35)22-10-8-20(28)17-30-22)7-9-21(23)31-39(36,37)24-6-2-4-18-5-3-11-29-25(18)24/h2-12,17H,13-16,18-19H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;2-9,14-17H,10-13,18-19H2,1H3;2-11,16-17,34H,12-15H2,1H3;2-11,16-17,31H,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-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone?
N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone has a molecular weight of 3953.56 g/mol, XLogP of 28.92, 42 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 159633227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).