2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone

C216H216FN21O27S7 — CID 157161025

IUPAC2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCC(C)(C(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1)c1ccc(F)cc1.CC(C)(C(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1)c1ccccc1.CC(C)Oc1ccccc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.CCCOc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.CCCOc1ccccc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1ccccc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C32H27N3O4S.C31H30FN3O4S.C31H33N3O4S.C31H31N3O4S.2C31H33N3O4S.C29H29N3O3S/c36-31(34-17-19-35(20-18-34)32(37)28-15-14-24-5-1-2-6-27(24)21-28)26-12-10-23(11-13-26)22-40(38,39)29-9-3-7-25-8-4-16-33-30(25)29;1-31(2,25-12-14-26(32)15-13-25)30(37)35-19-17-34(18-20-35)29(36)24-10-8-22(9-11-24)21-40(38,39)27-7-3-5-23-6-4-16-33-28(23)27;1-23(2)38-28-10-4-3-7-27(28)21-33-17-19-34(20-18-33)31(35)26-14-12-24(13-15-26)22-39(36,37)29-11-5-8-25-9-6-16-32-30(25)29;1-31(2,26-10-4-3-5-11-26)30(36)34-20-18-33(19-21-34)29(35)25-15-13-23(14-16-25)22-39(37,38)27-12-6-8-24-9-7-17-32-28(24)27;1-2-20-38-28-9-3-6-25(21-28)22-33-16-18-34(19-17-33)31(35)27-13-11-24(12-14-27)23-39(36,37)29-10-4-7-26-8-5-15-32-30(26)29;1-2-21-38-28-10-4-3-7-27(28)22-33-17-19-34(20-18-33)31(35)26-14-12-24(13-15-26)23-39(36,37)29-11-5-8-25-9-6-16-32-30(25)29;1-22-6-2-3-7-26(22)20-31-16-18-32(19-17-31)29(33)25-13-11-23(12-14-25)21-36(34,35)27-10-4-8-24-9-5-15-30-28(24)27/h1-16,21H,17-20,22H2;3-16H,17-21H2,1-2H3;3-16,23H,17-22H2,1-2H3;3-17H,18-22H2,1-2H3;3-15,21H,2,16-20,22-23H2,1H3;3-16H,2,17-23H2,1H3;2-15H,16-21H2,1H3
InChIKeyAMJLAYQAYNPUGH-UHFFFAOYSA-N
MW3781.69 g/mol
LogP33.38
Rot. Bonds49

About 2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone

2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (PubChem CID 157161025) has the molecular formula C216H216FN21O27S7 and a molecular weight of 3781.69 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
PubChem CID157161025
Molecular FormulaC216H216FN21O27S7
Molecular Weight3781.69 g/mol
Exact Mass3778.42
IUPAC Name2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCC(C)(C(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1)c1ccc(F)cc1.CC(C)(C(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1)c1ccccc1.CC(C)Oc1ccccc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.CCCOc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.CCCOc1ccccc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1ccccc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C32H27N3O4S.C31H30FN3O4S.C31H33N3O4S.C31H31N3O4S.2C31H33N3O4S.C29H29N3O3S/c36-31(34-17-19-35(20-18-34)32(37)28-15-14-24-5-1-2-6-27(24)21-28)26-12-10-23(11-13-26)22-40(38,39)29-9-3-7-25-8-4-16-33-30(25)29;1-31(2,25-12-14-26(32)15-13-25)30(37)35-19-17-34(18-20-35)29(36)24-10-8-22(9-11-24)21-40(38,39)27-7-3-5-23-6-4-16-33-28(23)27;1-23(2)38-28-10-4-3-7-27(28)21-33-17-19-34(20-18-33)31(35)26-14-12-24(13-15-26)22-39(36,37)29-11-5-8-25-9-6-16-32-30(25)29;1-31(2,26-10-4-3-5-11-26)30(36)34-20-18-33(19-21-34)29(35)25-15-13-23(14-16-25)22-39(37,38)27-12-6-8-24-9-7-17-32-28(24)27;1-2-20-38-28-9-3-6-25(21-28)22-33-16-18-34(19-17-33)31(35)27-13-11-24(12-14-27)23-39(36,37)29-10-4-7-26-8-5-15-32-30(26)29;1-2-21-38-28-10-4-3-7-27(28)22-33-17-19-34(20-18-33)31(35)26-14-12-24(13-15-26)23-39(36,37)29-11-5-8-25-9-6-16-32-30(25)29;1-22-6-2-3-7-26(22)20-31-16-18-32(19-17-31)29(33)25-13-11-23(12-14-25)21-36(34,35)27-10-4-8-24-9-5-15-30-28(24)27/h1-16,21H,17-20,22H2;3-16H,17-21H2,1-2H3;3-16,23H,17-22H2,1-2H3;3-17H,18-22H2,1-2H3;3-15,21H,2,16-20,22-23H2,1H3;3-16H,2,17-23H2,1H3;2-15H,16-21H2,1H3
InChIKeyAMJLAYQAYNPUGH-UHFFFAOYSA-N
XLogP33.38
TPSA572.96 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds49
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003781.69
LogP ≤ 533.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone with MolForge

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Related Compounds

[4-[(2,3-Difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634770
[3-Methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59634778
[4-[(3,5-Difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634789
[4-[(3-Fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634792
[2-Methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59634811
[2-Methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59634824
[4-[(5-Fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634845
[4-[(2-Fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634847
[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634895
[4-[(3-Fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634897
[3-Methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 59634898
[4-[(3-Fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634906

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (CID 157161025) is 2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is CC(C)(C(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1)c1ccc(F)cc1.CC(C)(C(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1)c1ccccc1.CC(C)Oc1ccccc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.CCCOc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.CCCOc1ccccc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1ccccc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The InChIKey is AMJLAYQAYNPUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O4S.C31H30FN3O4S.C31H33N3O4S.C31H31N3O4S.2C31H33N3O4S.C29H29N3O3S/c36-31(34-17-19-35(20-18-34)32(37)28-15-14-24-5-1-2-6-27(24)21-28)26-12-10-23(11-13-26)22-40(38,39)29-9-3-7-25-8-4-16-33-30(25)29;1-31(2,25-12-14-26(32)15-13-25)30(37)35-19-17-34(18-20-35)29(36)24-10-8-22(9-11-24)21-40(38,39)27-7-3-5-23-6-4-16-33-28(23)27;1-23(2)38-28-10-4-3-7-27(28)21-33-17-19-34(20-18-33)31(35)26-14-12-24(13-15-26)22-39(36,37)29-11-5-8-25-9-6-16-32-30(25)29;1-31(2,26-10-4-3-5-11-26)30(36)34-20-18-33(19-21-34)29(35)25-15-13-23(14-16-25)22-39(37,38)27-12-6-8-24-9-7-17-32-28(24)27;1-2-20-38-28-9-3-6-25(21-28)22-33-16-18-34(19-17-33)31(35)27-13-11-24(12-14-27)23-39(36,37)29-10-4-7-26-8-5-15-32-30(26)29;1-2-21-38-28-10-4-3-7-27(28)22-33-17-19-34(20-18-33)31(35)26-14-12-24(13-15-26)23-39(36,37)29-11-5-8-25-9-6-16-32-30(25)29;1-22-6-2-3-7-26(22)20-31-16-18-32(19-17-31)29(33)25-13-11-23(12-14-25)21-36(34,35)27-10-4-8-24-9-5-15-30-28(24)27/h1-16,21H,17-20,22H2;3-16H,17-21H2,1-2H3;3-16,23H,17-22H2,1-2H3;3-17H,18-22H2,1-2H3;3-15,21H,2,16-20,22-23H2,1H3;3-16H,2,17-23H2,1H3;2-15H,16-21H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone has a molecular weight of 3781.69 g/mol, XLogP of 33.38, 49 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 157161025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).