2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide

C38H31Cl2N5O2 — CID 4618121

IUPAC2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
SMILESO=C(NCCN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C38H31Cl2N5O2/c39-27-13-9-25(10-14-27)35-23-31(29-5-1-3-7-33(29)42-35)37(46)41-17-18-44-19-21-45(22-20-44)38(47)32-24-36(26-11-15-28(40)16-12-26)43-34-8-4-2-6-30(32)34/h1-16,23-24H,17-22H2,(H,41,46)
InChIKeyCGNPGJDEHVWKHA-UHFFFAOYSA-N
MW660.61 g/mol
LogP7.61
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide (PubChem CID 4618121) has the molecular formula C38H31Cl2N5O2 and a molecular weight of 660.61 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
PubChem CID4618121
Molecular FormulaC38H31Cl2N5O2
Molecular Weight660.61 g/mol
Exact Mass659.19
IUPAC Name2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
SMILESO=C(NCCN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C38H31Cl2N5O2/c39-27-13-9-25(10-14-27)35-23-31(29-5-1-3-7-33(29)42-35)37(46)41-17-18-44-19-21-45(22-20-44)38(47)32-24-36(26-11-15-28(40)16-12-26)43-34-8-4-2-6-30(32)34/h1-16,23-24H,17-22H2,(H,41,46)
InChIKeyCGNPGJDEHVWKHA-UHFFFAOYSA-N
XLogP7.61
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.61
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(5-methylthiophen-2-yl)-N-[2-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4083806
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 119447141
(4-chlorophenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 37068160
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749525
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 2094903
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 3442010

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide (CID 4618121) is 2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide is O=C(NCCN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide?
The InChIKey is CGNPGJDEHVWKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31Cl2N5O2/c39-27-13-9-25(10-14-27)35-23-31(29-5-1-3-7-33(29)42-35)37(46)41-17-18-44-19-21-45(22-20-44)38(47)32-24-36(26-11-15-28(40)16-12-26)43-34-8-4-2-6-30(32)34/h1-16,23-24H,17-22H2,(H,41,46).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide has a molecular weight of 660.61 g/mol, XLogP of 7.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 4618121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).