N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

C201H191F8N27O27S7 — CID 159783979

IUPACN-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCC(CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1)c1ccccc1.CC(c1ccccc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.COc1cc(C(=O)N2CCN(C(=O)c3ccc(C)cn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3ncccc3F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(CCCc2ccccc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/2C30H30FN3O3S.2C29H28FN3O3S.C28H24F3N5O5S.C28H27N5O5S.C27H24FN5O5S/c1-22(23-7-3-2-4-8-23)20-33-15-17-34(18-16-33)30(35)25-12-13-26(27(31)19-25)21-38(36,37)28-11-5-9-24-10-6-14-32-29(24)28;31-27-21-25(30(35)34-19-17-33(18-20-34)16-6-9-23-7-2-1-3-8-23)13-14-26(27)22-38(36,37)28-12-4-10-24-11-5-15-32-29(24)28;1-21(22-7-3-2-4-8-22)32-15-17-33(18-16-32)29(34)24-12-13-25(26(30)19-24)20-37(35,36)27-11-5-9-23-10-6-14-31-28(23)27;30-26-20-24(29(34)33-18-16-32(17-19-33)15-13-22-6-2-1-3-7-22)11-12-25(26)21-37(35,36)27-10-4-8-23-9-5-14-31-28(23)27;1-41-22-17-19(9-10-21(22)34-42(39,40)23-8-2-5-18-6-3-11-32-24(18)23)26(37)35-13-15-36(16-14-35)27(38)25-20(28(29,30)31)7-4-12-33-25;1-19-8-10-23(30-18-19)28(35)33-15-13-32(14-16-33)27(34)21-9-11-22(24(17-21)38-2)31-39(36,37)25-7-3-5-20-6-4-12-29-26(20)25;1-38-22-17-19(26(34)32-13-15-33(16-14-32)27(35)25-20(28)7-4-12-30-25)9-10-21(22)31-39(36,37)23-8-2-5-18-6-3-11-29-24(18)23/h2-14,19,22H,15-18,20-21H2,1H3;1-5,7-8,10-15,21H,6,9,16-20,22H2;2-14,19,21H,15-18,20H2,1H3;1-12,14,20H,13,15-19,21H2;2-12,17,34H,13-16H2,1H3;3-12,17-18,31H,13-16H2,1-2H3;2-12,17,31H,13-16H2,1H3
InChIKeyNHSJVRVRPOCOTB-UHFFFAOYSA-N
MW3793.35 g/mol
LogP29.44
Rot. Bonds46

About N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (PubChem CID 159783979) has the molecular formula C201H191F8N27O27S7 and a molecular weight of 3793.35 g/mol. Its IUPAC name is N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
PubChem CID159783979
Molecular FormulaC201H191F8N27O27S7
Molecular Weight3793.35 g/mol
Exact Mass3790.23
IUPAC NameN-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCC(CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1)c1ccccc1.CC(c1ccccc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.COc1cc(C(=O)N2CCN(C(=O)c3ccc(C)cn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3ncccc3F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(CCCc2ccccc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/2C30H30FN3O3S.2C29H28FN3O3S.C28H24F3N5O5S.C28H27N5O5S.C27H24FN5O5S/c1-22(23-7-3-2-4-8-23)20-33-15-17-34(18-16-33)30(35)25-12-13-26(27(31)19-25)21-38(36,37)28-11-5-9-24-10-6-14-32-29(24)28;31-27-21-25(30(35)34-19-17-33(18-20-34)16-6-9-23-7-2-1-3-8-23)13-14-26(27)22-38(36,37)28-12-4-10-24-11-5-15-32-29(24)28;1-21(22-7-3-2-4-8-22)32-15-17-33(18-16-32)29(34)24-12-13-25(26(30)19-24)20-37(35,36)27-11-5-9-23-10-6-14-31-28(23)27;30-26-20-24(29(34)33-18-16-32(17-19-33)15-13-22-6-2-1-3-7-22)11-12-25(26)21-37(35,36)27-10-4-8-23-9-5-14-31-28(23)27;1-41-22-17-19(9-10-21(22)34-42(39,40)23-8-2-5-18-6-3-11-32-24(18)23)26(37)35-13-15-36(16-14-35)27(38)25-20(28(29,30)31)7-4-12-33-25;1-19-8-10-23(30-18-19)28(35)33-15-13-32(14-16-33)27(34)21-9-11-22(24(17-21)38-2)31-39(36,37)25-7-3-5-20-6-4-12-29-26(20)25;1-38-22-17-19(26(34)32-13-15-33(16-14-32)27(35)25-20(28)7-4-12-30-25)9-10-21(22)31-39(36,37)23-8-2-5-18-6-3-11-29-24(18)23/h2-14,19,22H,15-18,20-21H2,1H3;1-5,7-8,10-15,21H,6,9,16-20,22H2;2-14,19,21H,15-18,20H2,1H3;1-12,14,20H,13,15-19,21H2;2-12,17,34H,13-16H2,1H3;3-12,17-18,31H,13-16H2,1-2H3;2-12,17,31H,13-16H2,1H3
InChIKeyNHSJVRVRPOCOTB-UHFFFAOYSA-N
XLogP29.44
TPSA647.72 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds46
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003793.35
LogP ≤ 529.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Analyze N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 57410088
N-[4-[4-[(5-fluoropyridin-3-yl)methyl]piperazine-1-carbonyl]-2-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 57410089
N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 57410090
N-[4-[4-(3,5-difluorobenzoyl)piperazine-1-carbonyl]-2-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 57410091
N-[4-[4-[2-(2-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 57410201
N-[4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-2-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 57411754
N-[4-[4-(5-fluoropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 59634780
N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 59634781
N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 59634882
N-[2-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634992
N-[2-methoxy-4-[4-[2-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635006
N-[4-[4-(3-fluoropyridine-4-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 59635011

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (CID 159783979) is N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is CC(CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1)c1ccccc1.CC(c1ccccc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.COc1cc(C(=O)N2CCN(C(=O)c3ccc(C)cn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(C(=O)c3ncccc3F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(CCCc2ccccc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The InChIKey is NHSJVRVRPOCOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H30FN3O3S.2C29H28FN3O3S.C28H24F3N5O5S.C28H27N5O5S.C27H24FN5O5S/c1-22(23-7-3-2-4-8-23)20-33-15-17-34(18-16-33)30(35)25-12-13-26(27(31)19-25)21-38(36,37)28-11-5-9-24-10-6-14-32-29(24)28;31-27-21-25(30(35)34-19-17-33(18-20-34)16-6-9-23-7-2-1-3-8-23)13-14-26(27)22-38(36,37)28-12-4-10-24-11-5-15-32-29(24)28;1-21(22-7-3-2-4-8-22)32-15-17-33(18-16-32)29(34)24-12-13-25(26(30)19-24)20-37(35,36)27-11-5-9-23-10-6-14-31-28(23)27;30-26-20-24(29(34)33-18-16-32(17-19-33)15-13-22-6-2-1-3-7-22)11-12-25(26)21-37(35,36)27-10-4-8-23-9-5-14-31-28(23)27;1-41-22-17-19(9-10-21(22)34-42(39,40)23-8-2-5-18-6-3-11-32-24(18)23)26(37)35-13-15-36(16-14-35)27(38)25-20(28(29,30)31)7-4-12-33-25;1-19-8-10-23(30-18-19)28(35)33-15-13-32(14-16-33)27(34)21-9-11-22(24(17-21)38-2)31-39(36,37)25-7-3-5-20-6-4-12-29-26(20)25;1-38-22-17-19(26(34)32-13-15-33(16-14-32)27(35)25-20(28)7-4-12-30-25)9-10-21(22)31-39(36,37)23-8-2-5-18-6-3-11-29-24(18)23/h2-14,19,22H,15-18,20-21H2,1H3;1-5,7-8,10-15,21H,6,9,16-20,22H2;2-14,19,21H,15-18,20H2,1H3;1-12,14,20H,13,15-19,21H2;2-12,17,34H,13-16H2,1H3;3-12,17-18,31H,13-16H2,1-2H3;2-12,17,31H,13-16H2,1H3.
What are the key properties of N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 3793.35 g/mol, XLogP of 29.44, 46 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 159783979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).