N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate

C168H179Cl3F4N24O21S6 — CID 160514831

IUPACN-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1[C@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C[C@@H]1C.CC(c1c(F)cccc1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@H](C)C1.CC1CN(CC2CCCCC2)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.CC1CN(Cc2ccc(Cl)c(F)c2)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(CC2CCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl.C[C@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl
InChIInChI=1S/C29H28ClFN4O3S.C29H28F2N4O3S.C29H36N4O3S.C28H26ClFN4O3S.C27H32N4O5S.C26H29ClN4O4S/c1-19-16-34(18-21-8-13-25(30)26(31)15-21)17-20(2)35(19)29(36)23-9-11-24(12-10-23)33-39(37,38)27-7-3-5-22-6-4-14-32-28(22)27;1-19-18-34(20(2)27-24(30)8-4-9-25(27)31)16-17-35(19)29(36)22-11-13-23(14-12-22)33-39(37,38)26-10-3-6-21-7-5-15-32-28(21)26;1-21-18-32(20-23-8-4-3-5-9-23)19-22(2)33(21)29(34)25-13-15-26(16-14-25)31-37(35,36)27-12-6-10-24-11-7-17-30-28(24)27;1-19-17-33(18-20-7-9-22(30)10-8-20)14-15-34(19)28(35)24-12-11-23(16-25(24)29)32-38(36,37)26-6-2-4-21-5-3-13-31-27(21)26;1-18(2)17-36-27(33)31-19(3)15-30(16-20(31)4)26(32)22-10-12-23(13-11-22)29-37(34,35)24-9-5-7-21-8-6-14-28-25(21)24;1-18-15-30(16-19-9-13-35-17-19)11-12-31(18)26(32)22-8-7-21(14-23(22)27)29-36(33,34)24-6-2-4-20-5-3-10-28-25(20)24/h2*3-15,19-20,33H,16-18H2,1-2H3;6-7,10-17,21-23,31H,3-5,8-9,18-20H2,1-2H3;2-13,16,19,32H,14-15,17-18H2,1H3;5-14,18-20,29H,15-17H2,1-4H3;2-8,10,14,18-19,29H,9,11-13,15-17H2,1H3/t;19-,20?;;19-;19-,20+;18-,19?/m.1.0.1/s1
InChIKeyQTNAADSPGABNSZ-KSBSNVFSSA-N
MW3245.18 g/mol
LogP29.34
Rot. Bonds36

About N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate

N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate (PubChem CID 160514831) has the molecular formula C168H179Cl3F4N24O21S6 and a molecular weight of 3245.18 g/mol. Its IUPAC name is N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound NameN-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
PubChem CID160514831
Molecular FormulaC168H179Cl3F4N24O21S6
Molecular Weight3245.18 g/mol
Exact Mass3241.10
IUPAC NameN-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1[C@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C[C@@H]1C.CC(c1c(F)cccc1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@H](C)C1.CC1CN(CC2CCCCC2)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.CC1CN(Cc2ccc(Cl)c(F)c2)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(CC2CCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl.C[C@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl
InChIInChI=1S/C29H28ClFN4O3S.C29H28F2N4O3S.C29H36N4O3S.C28H26ClFN4O3S.C27H32N4O5S.C26H29ClN4O4S/c1-19-16-34(18-21-8-13-25(30)26(31)15-21)17-20(2)35(19)29(36)23-9-11-24(12-10-23)33-39(37,38)27-7-3-5-22-6-4-14-32-28(22)27;1-19-18-34(20(2)27-24(30)8-4-9-25(27)31)16-17-35(19)29(36)22-11-13-23(14-12-22)33-39(37,38)26-10-3-6-21-7-5-15-32-28(21)26;1-21-18-32(20-23-8-4-3-5-9-23)19-22(2)33(21)29(34)25-13-15-26(16-14-25)31-37(35,36)27-12-6-10-24-11-7-17-30-28(24)27;1-19-17-33(18-20-7-9-22(30)10-8-20)14-15-34(19)28(35)24-12-11-23(16-25(24)29)32-38(36,37)26-6-2-4-21-5-3-13-31-27(21)26;1-18(2)17-36-27(33)31-19(3)15-30(16-20(31)4)26(32)22-10-12-23(13-11-22)29-37(34,35)24-9-5-7-21-8-6-14-28-25(21)24;1-18-15-30(16-19-9-13-35-17-19)11-12-31(18)26(32)22-8-7-21(14-23(22)27)29-36(33,34)24-6-2-4-20-5-3-10-28-25(20)24/h2*3-15,19-20,33H,16-18H2,1-2H3;6-7,10-17,21-23,31H,3-5,8-9,18-20H2,1-2H3;2-13,16,19,32H,14-15,17-18H2,1H3;5-14,18-20,29H,15-17H2,1-4H3;2-8,10,14,18-19,29H,9,11-13,15-17H2,1H3/t;19-,20?;;19-;19-,20+;18-,19?/m.1.0.1/s1
InChIKeyQTNAADSPGABNSZ-KSBSNVFSSA-N
XLogP29.34
TPSA531.19 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds36
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003245.18
LogP ≤ 529.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[3-chloro-4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57411636
N-[3-chloro-4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 68007807
N-[3-chloro-4-[4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 68007810
N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 68008232
N-[3-chloro-4-[2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 68008234
N-[3-chloro-4-[4-[(4-chloro-3-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 68008304
N-[3-chloro-4-[4-[(3,5-difluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 76527309
N-[4-[4-[(3-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-fluorophenyl]-4-[3-[[4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazin-1-yl]methyl]cyclohexyl]quinoline-8-sulfonamide
CID 129042764
N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-4-[3-[[4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazin-1-yl]methyl]cyclopentyl]quinoline-8-sulfonamide
CID 129042940
N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-[3,5-difluoro-4-[[4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazin-1-yl]methyl]phenyl]quinoline-8-sulfonamide
CID 149125779
(4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 157273980
[4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 159714007

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate?
The IUPAC name of N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate (CID 160514831) is N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate is CC(C)COC(=O)N1[C@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C[C@@H]1C.CC(c1c(F)cccc1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@H](C)C1.CC1CN(CC2CCCCC2)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.CC1CN(Cc2ccc(Cl)c(F)c2)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(CC2CCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl.C[C@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl.
What is the InChIKey of N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate?
The InChIKey is QTNAADSPGABNSZ-KSBSNVFSSA-N. The full InChI is InChI=1S/C29H28ClFN4O3S.C29H28F2N4O3S.C29H36N4O3S.C28H26ClFN4O3S.C27H32N4O5S.C26H29ClN4O4S/c1-19-16-34(18-21-8-13-25(30)26(31)15-21)17-20(2)35(19)29(36)23-9-11-24(12-10-23)33-39(37,38)27-7-3-5-22-6-4-14-32-28(22)27;1-19-18-34(20(2)27-24(30)8-4-9-25(27)31)16-17-35(19)29(36)22-11-13-23(14-12-22)33-39(37,38)26-10-3-6-21-7-5-15-32-28(21)26;1-21-18-32(20-23-8-4-3-5-9-23)19-22(2)33(21)29(34)25-13-15-26(16-14-25)31-37(35,36)27-12-6-10-24-11-7-17-30-28(24)27;1-19-17-33(18-20-7-9-22(30)10-8-20)14-15-34(19)28(35)24-12-11-23(16-25(24)29)32-38(36,37)26-6-2-4-21-5-3-13-31-27(21)26;1-18(2)17-36-27(33)31-19(3)15-30(16-20(31)4)26(32)22-10-12-23(13-11-22)29-37(34,35)24-9-5-7-21-8-6-14-28-25(21)24;1-18-15-30(16-19-9-13-35-17-19)11-12-31(18)26(32)22-8-7-21(14-23(22)27)29-36(33,34)24-6-2-4-20-5-3-10-28-25(20)24/h2*3-15,19-20,33H,16-18H2,1-2H3;6-7,10-17,21-23,31H,3-5,8-9,18-20H2,1-2H3;2-13,16,19,32H,14-15,17-18H2,1H3;5-14,18-20,29H,15-17H2,1-4H3;2-8,10,14,18-19,29H,9,11-13,15-17H2,1H3/t;19-,20?;;19-;19-,20+;18-,19?/m.1.0.1/s1.
What are the key properties of N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate?
N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate has a molecular weight of 3245.18 g/mol, XLogP of 29.34, 36 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 160514831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).