2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide

C34H24Cl2N4O2 — CID 5115230

IUPAC2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
SMILESO=C(NCCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C34H24Cl2N4O2/c35-23-13-9-21(10-14-23)31-19-27(25-5-1-3-7-29(25)39-31)33(41)37-17-18-38-34(42)28-20-32(22-11-15-24(36)16-12-22)40-30-8-4-2-6-26(28)30/h1-16,19-20H,17-18H2,(H,37,41)(H,38,42)
InChIKeyJMGDCEUMZCJFBO-UHFFFAOYSA-N
MW591.50 g/mol
LogP7.58
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide (PubChem CID 5115230) has the molecular formula C34H24Cl2N4O2 and a molecular weight of 591.50 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
PubChem CID5115230
Molecular FormulaC34H24Cl2N4O2
Molecular Weight591.50 g/mol
Exact Mass590.13
IUPAC Name2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
SMILESO=C(NCCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C34H24Cl2N4O2/c35-23-13-9-21(10-14-23)31-19-27(25-5-1-3-7-29(25)39-31)33(41)37-17-18-38-34(42)28-20-32(22-11-15-24(36)16-12-22)40-30-8-4-2-6-26(28)30/h1-16,19-20H,17-18H2,(H,37,41)(H,38,42)
InChIKeyJMGDCEUMZCJFBO-UHFFFAOYSA-N
XLogP7.58
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.50
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]quinoline-4-carboxamide
CID 55407847
2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 4304622
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 9299791
2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4618121
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
2-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide
CID 134014138
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
CID 136993193

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide (CID 5115230) is 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide is O=C(NCCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide?
The InChIKey is JMGDCEUMZCJFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24Cl2N4O2/c35-23-13-9-21(10-14-23)31-19-27(25-5-1-3-7-29(25)39-31)33(41)37-17-18-38-34(42)28-20-32(22-11-15-24(36)16-12-22)40-30-8-4-2-6-26(28)30/h1-16,19-20H,17-18H2,(H,37,41)(H,38,42).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide has a molecular weight of 591.50 g/mol, XLogP of 7.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 5115230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).