4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid

C139H140Cl5N19O2 — CID 161469969

IUPAC4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid
SMILESCc1ccc(C(NCCN2CCN(c3ccnc4cc(Cl)ccc34)CC2)c2ccc(C(=O)O)cc2)cc1.Clc1ccc2c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ccnc2c1.Clc1ccc2c(N3CCN(C(c4ccncc4)c4ccncc4)CC3)ccnc2c1.Clc1ccc2c(N3CCN(CCCCC(c4ccccc4)c4ccccc4)CC3)ccnc2c1.Clc1ccc2c(N3CCN(CCCCC(c4ccccc4)c4ccncc4)CC3)ccnc2c1
InChIInChI=1S/C30H31ClN4O2.C30H32ClN3.C29H31ClN4.C26H24ClN3.C24H22ClN5/c1-21-2-4-22(5-3-21)29(23-6-8-24(9-7-23)30(36)37)33-14-15-34-16-18-35(19-17-34)28-12-13-32-27-20-25(31)10-11-26(27)28;31-26-14-15-28-29(23-26)32-17-16-30(28)34-21-19-33(20-22-34)18-8-7-13-27(24-9-3-1-4-10-24)25-11-5-2-6-12-25;30-25-9-10-27-28(22-25)32-16-13-29(27)34-20-18-33(19-21-34)17-5-4-8-26(23-6-2-1-3-7-23)24-11-14-31-15-12-24;27-22-11-12-23-24(19-22)28-14-13-25(23)29-15-17-30(18-16-29)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21;25-20-1-2-21-22(17-20)28-12-7-23(21)29-13-15-30(16-14-29)24(18-3-8-26-9-4-18)19-5-10-27-11-6-19/h2-13,20,29,33H,14-19H2,1H3,(H,36,37);1-6,9-12,14-17,23,27H,7-8,13,18-22H2;1-3,6-7,9-16,22,26H,4-5,8,17-21H2;1-14,19,26H,15-18H2;1-12,17,24H,13-16H2
InChIKeyWCYGPZBHCOJAMZ-UHFFFAOYSA-N
MW2286.04 g/mol
LogP29.21
Rot. Bonds32

About 4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid

4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid (PubChem CID 161469969) has the molecular formula C139H140Cl5N19O2 and a molecular weight of 2286.04 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid.

Molecular Properties

Compound Name4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid
PubChem CID161469969
Molecular FormulaC139H140Cl5N19O2
Molecular Weight2286.04 g/mol
Exact Mass2281.99
IUPAC Name4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid
SMILESCc1ccc(C(NCCN2CCN(c3ccnc4cc(Cl)ccc34)CC2)c2ccc(C(=O)O)cc2)cc1.Clc1ccc2c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ccnc2c1.Clc1ccc2c(N3CCN(C(c4ccncc4)c4ccncc4)CC3)ccnc2c1.Clc1ccc2c(N3CCN(CCCCC(c4ccccc4)c4ccccc4)CC3)ccnc2c1.Clc1ccc2c(N3CCN(CCCCC(c4ccccc4)c4ccncc4)CC3)ccnc2c1
InChIInChI=1S/C30H31ClN4O2.C30H32ClN3.C29H31ClN4.C26H24ClN3.C24H22ClN5/c1-21-2-4-22(5-3-21)29(23-6-8-24(9-7-23)30(36)37)33-14-15-34-16-18-35(19-17-34)28-12-13-32-27-20-25(31)10-11-26(27)28;31-26-14-15-28-29(23-26)32-17-16-30(28)34-21-19-33(20-22-34)18-8-7-13-27(24-9-3-1-4-10-24)25-11-5-2-6-12-25;30-25-9-10-27-28(22-25)32-16-13-29(27)34-20-18-33(19-21-34)17-5-4-8-26(23-6-2-1-3-7-23)24-11-14-31-15-12-24;27-22-11-12-23-24(19-22)28-14-13-25(23)29-15-17-30(18-16-29)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21;25-20-1-2-21-22(17-20)28-12-7-23(21)29-13-15-30(16-14-29)24(18-3-8-26-9-4-18)19-5-10-27-11-6-19/h2-13,20,29,33H,14-19H2,1H3,(H,36,37);1-6,9-12,14-17,23,27H,7-8,13,18-22H2;1-3,6-7,9-16,22,26H,4-5,8,17-21H2;1-14,19,26H,15-18H2;1-12,17,24H,13-16H2
InChIKeyWCYGPZBHCOJAMZ-UHFFFAOYSA-N
XLogP29.21
TPSA184.85 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002286.04
LogP ≤ 529.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid?
The IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid (CID 161469969) is 4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid.
What is the SMILES notation for 4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid?
The canonical SMILES for 4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid is Cc1ccc(C(NCCN2CCN(c3ccnc4cc(Cl)ccc34)CC2)c2ccc(C(=O)O)cc2)cc1.Clc1ccc2c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ccnc2c1.Clc1ccc2c(N3CCN(C(c4ccncc4)c4ccncc4)CC3)ccnc2c1.Clc1ccc2c(N3CCN(CCCCC(c4ccccc4)c4ccccc4)CC3)ccnc2c1.Clc1ccc2c(N3CCN(CCCCC(c4ccccc4)c4ccncc4)CC3)ccnc2c1.
What is the InChIKey of 4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid?
The InChIKey is WCYGPZBHCOJAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O2.C30H32ClN3.C29H31ClN4.C26H24ClN3.C24H22ClN5/c1-21-2-4-22(5-3-21)29(23-6-8-24(9-7-23)30(36)37)33-14-15-34-16-18-35(19-17-34)28-12-13-32-27-20-25(31)10-11-26(27)28;31-26-14-15-28-29(23-26)32-17-16-30(28)34-21-19-33(20-22-34)18-8-7-13-27(24-9-3-1-4-10-24)25-11-5-2-6-12-25;30-25-9-10-27-28(22-25)32-16-13-29(27)34-20-18-33(19-21-34)17-5-4-8-26(23-6-2-1-3-7-23)24-11-14-31-15-12-24;27-22-11-12-23-24(19-22)28-14-13-25(23)29-15-17-30(18-16-29)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21;25-20-1-2-21-22(17-20)28-12-7-23(21)29-13-15-30(16-14-29)24(18-3-8-26-9-4-18)19-5-10-27-11-6-19/h2-13,20,29,33H,14-19H2,1H3,(H,36,37);1-6,9-12,14-17,23,27H,7-8,13,18-22H2;1-3,6-7,9-16,22,26H,4-5,8,17-21H2;1-14,19,26H,15-18H2;1-12,17,24H,13-16H2.
What are the key properties of 4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid?
4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid has a molecular weight of 2286.04 g/mol, XLogP of 29.21, 32 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperazin-1-yl)-7-chloroquinoline;7-chloro-4-[4-(5,5-diphenylpentyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(dipyridin-4-ylmethyl)piperazin-1-yl]quinoline;7-chloro-4-[4-(5-phenyl-5-pyridin-4-ylpentyl)piperazin-1-yl]quinoline;4-[[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethylamino]-(4-methylphenyl)methyl]benzoic acid is sourced from PubChem (CID 161469969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).