[4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone

C237H227Cl2F5N24O33S8 — CID 159086620

IUPAC[4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone
SMILESCCCCCOc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.COc1cccc(C(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1OC.Cc1cc(C)c(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1C.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=O)c2cc(F)c(Cl)cc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(OCCO)c2)CC1.O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccccc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C33H37N3O4S.C31H33N3O3S.C30H29N3O6S.C30H31N3O5S.C29H26F3N3O3S.C28H22ClF2N3O4S.C28H24ClN3O4S.C28H25N3O4S/c1-2-3-4-23-40-30-16-12-26(13-17-30)24-35-19-21-36(22-20-35)33(37)29-14-10-27(11-15-29)25-41(38,39)31-9-5-7-28-8-6-18-34-32(28)31;1-22-18-24(3)28(19-23(22)2)20-33-14-16-34(17-15-33)31(35)27-11-9-25(10-12-27)21-38(36,37)29-8-4-6-26-7-5-13-32-30(26)29;1-38-25-9-4-8-24(28(25)39-2)30(35)33-18-16-32(17-19-33)29(34)23-13-11-21(12-14-23)20-40(36,37)26-10-3-6-22-7-5-15-31-27(22)26;34-18-19-38-27-7-1-4-24(20-27)21-32-14-16-33(17-15-32)30(35)26-11-9-23(10-12-26)22-39(36,37)28-8-2-5-25-6-3-13-31-29(25)28;30-29(31,32)25-12-8-21(9-13-25)19-34-15-17-35(18-16-34)28(36)24-10-6-22(7-11-24)20-39(37,38)26-5-1-3-23-4-2-14-33-27(23)26;29-22-16-23(30)21(15-24(22)31)28(36)34-13-11-33(12-14-34)27(35)20-8-6-18(7-9-20)17-39(37,38)25-5-1-3-19-4-2-10-32-26(19)25;29-24-12-10-23(11-13-24)28(34)32-17-15-31(16-18-32)27(33)22-8-6-20(7-9-22)19-37(35,36)25-5-1-3-21-4-2-14-30-26(21)25;32-27(23-6-2-1-3-7-23)30-16-18-31(19-17-30)28(33)24-13-11-21(12-14-24)20-36(34,35)25-10-4-8-22-9-5-15-29-26(22)25/h5-18H,2-4,19-25H2,1H3;4-13,18-19H,14-17,20-21H2,1-3H3;3-15H,16-20H2,1-2H3;1-13,20,34H,14-19,21-22H2;1-14H,15-20H2;1-10,15-16H,11-14,17H2;1-14H,15-19H2;1-15H,16-20H2
InChIKeyKBNCMBVUGWHBCR-UHFFFAOYSA-N
MW4361.99 g/mol
LogP36.38
Rot. Bonds54

About [4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone

[4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 159086620) has the molecular formula C237H227Cl2F5N24O33S8 and a molecular weight of 4361.99 g/mol. Its IUPAC name is [4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID159086620
Molecular FormulaC237H227Cl2F5N24O33S8
Molecular Weight4361.99 g/mol
Exact Mass4357.39
IUPAC Name[4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone
SMILESCCCCCOc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.COc1cccc(C(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1OC.Cc1cc(C)c(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1C.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=O)c2cc(F)c(Cl)cc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(OCCO)c2)CC1.O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccccc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C33H37N3O4S.C31H33N3O3S.C30H29N3O6S.C30H31N3O5S.C29H26F3N3O3S.C28H22ClF2N3O4S.C28H24ClN3O4S.C28H25N3O4S/c1-2-3-4-23-40-30-16-12-26(13-17-30)24-35-19-21-36(22-20-35)33(37)29-14-10-27(11-15-29)25-41(38,39)31-9-5-7-28-8-6-18-34-32(28)31;1-22-18-24(3)28(19-23(22)2)20-33-14-16-34(17-15-33)31(35)27-11-9-25(10-12-27)21-38(36,37)29-8-4-6-26-7-5-13-32-30(26)29;1-38-25-9-4-8-24(28(25)39-2)30(35)33-18-16-32(17-19-33)29(34)23-13-11-21(12-14-23)20-40(36,37)26-10-3-6-22-7-5-15-31-27(22)26;34-18-19-38-27-7-1-4-24(20-27)21-32-14-16-33(17-15-32)30(35)26-11-9-23(10-12-26)22-39(36,37)28-8-2-5-25-6-3-13-31-29(25)28;30-29(31,32)25-12-8-21(9-13-25)19-34-15-17-35(18-16-34)28(36)24-10-6-22(7-11-24)20-39(37,38)26-5-1-3-23-4-2-14-33-27(23)26;29-22-16-23(30)21(15-24(22)31)28(36)34-13-11-33(12-14-34)27(35)20-8-6-18(7-9-20)17-39(37,38)25-5-1-3-19-4-2-10-32-26(19)25;29-24-12-10-23(11-13-24)28(34)32-17-15-31(16-18-32)27(33)22-8-6-20(7-9-22)19-37(35,36)25-5-1-3-21-4-2-14-30-26(21)25;32-27(23-6-2-1-3-7-23)30-16-18-31(19-17-30)28(33)24-13-11-21(12-14-24)20-36(34,35)25-10-4-8-22-9-5-15-29-26(22)25/h5-18H,2-4,19-25H2,1H3;4-13,18-19H,14-17,20-21H2,1-3H3;3-15H,16-20H2,1-2H3;1-13,20,34H,14-19,21-22H2;1-14H,15-20H2;1-10,15-16H,11-14,17H2;1-14H,15-19H2;1-15H,16-20H2
InChIKeyKBNCMBVUGWHBCR-UHFFFAOYSA-N
XLogP36.38
TPSA690.07 Ų
H-Bond Donors1
H-Bond Acceptors45
Rotatable Bonds54
Heavy Atoms309
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004361.99
LogP ≤ 536.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1045

Analyze [4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone (CID 159086620) is [4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone is CCCCCOc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.COc1cccc(C(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1OC.Cc1cc(C)c(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1C.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=O)c2cc(F)c(Cl)cc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(OCCO)c2)CC1.O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccccc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.
What is the InChIKey of [4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is KBNCMBVUGWHBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O4S.C31H33N3O3S.C30H29N3O6S.C30H31N3O5S.C29H26F3N3O3S.C28H22ClF2N3O4S.C28H24ClN3O4S.C28H25N3O4S/c1-2-3-4-23-40-30-16-12-26(13-17-30)24-35-19-21-36(22-20-35)33(37)29-14-10-27(11-15-29)25-41(38,39)31-9-5-7-28-8-6-18-34-32(28)31;1-22-18-24(3)28(19-23(22)2)20-33-14-16-34(17-15-33)31(35)27-11-9-25(10-12-27)21-38(36,37)29-8-4-6-26-7-5-13-32-30(26)29;1-38-25-9-4-8-24(28(25)39-2)30(35)33-18-16-32(17-19-33)29(34)23-13-11-21(12-14-23)20-40(36,37)26-10-3-6-22-7-5-15-31-27(22)26;34-18-19-38-27-7-1-4-24(20-27)21-32-14-16-33(17-15-32)30(35)26-11-9-23(10-12-26)22-39(36,37)28-8-2-5-25-6-3-13-31-29(25)28;30-29(31,32)25-12-8-21(9-13-25)19-34-15-17-35(18-16-34)28(36)24-10-6-22(7-11-24)20-39(37,38)26-5-1-3-23-4-2-14-33-27(23)26;29-22-16-23(30)21(15-24(22)31)28(36)34-13-11-33(12-14-34)27(35)20-8-6-18(7-9-20)17-39(37,38)25-5-1-3-19-4-2-10-32-26(19)25;29-24-12-10-23(11-13-24)28(34)32-17-15-31(16-18-32)27(33)22-8-6-20(7-9-22)19-37(35,36)25-5-1-3-21-4-2-14-30-26(21)25;32-27(23-6-2-1-3-7-23)30-16-18-31(19-17-30)28(33)24-13-11-21(12-14-24)20-36(34,35)25-10-4-8-22-9-5-15-29-26(22)25/h5-18H,2-4,19-25H2,1H3;4-13,18-19H,14-17,20-21H2,1-3H3;3-15H,16-20H2,1-2H3;1-13,20,34H,14-19,21-22H2;1-14H,15-20H2;1-10,15-16H,11-14,17H2;1-14H,15-19H2;1-15H,16-20H2.
What are the key properties of [4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone?
[4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 4361.99 g/mol, XLogP of 36.38, 54 rotatable bonds, 1 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-chloro-2,5-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-pentoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 159086620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).