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

C35H26Cl2N4O2 — CID 5141556

IUPAC2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
SMILESCC(CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C35H26Cl2N4O2/c1-21(39-35(43)29-19-33(23-12-16-25(37)17-13-23)41-31-9-5-3-7-27(29)31)20-38-34(42)28-18-32(22-10-14-24(36)15-11-22)40-30-8-4-2-6-26(28)30/h2-19,21H,20H2,1H3,(H,38,42)(H,39,43)
InChIKeyJJGQGYFWVRJSJH-UHFFFAOYSA-N
MW605.53 g/mol
LogP7.97
Rot. Bonds7

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

2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide (PubChem CID 5141556) has the molecular formula C35H26Cl2N4O2 and a molecular weight of 605.53 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
PubChem CID5141556
Molecular FormulaC35H26Cl2N4O2
Molecular Weight605.53 g/mol
Exact Mass604.14
IUPAC Name2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
SMILESCC(CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C35H26Cl2N4O2/c1-21(39-35(43)29-19-33(23-12-16-25(37)17-13-23)41-31-9-5-3-7-27(29)31)20-38-34(42)28-18-32(22-10-14-24(36)15-11-22)40-30-8-4-2-6-26(28)30/h2-19,21H,20H2,1H3,(H,38,42)(H,39,43)
InChIKeyJJGQGYFWVRJSJH-UHFFFAOYSA-N
XLogP7.97
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.53
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 9299791
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 4051739
2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 5116892
N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 46098242
2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3558127
[(2R)-1-amino-1-oxopropan-2-yl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate
CID 8544036
1-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-3-propan-2-ylthiourea
CID 7940652
N-[1-[2-[2-(4-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 24644519
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 2327988
2-(4-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]quinoline-4-carboxamide
CID 55407847

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide (CID 5141556) is 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide is CC(CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
The InChIKey is JJGQGYFWVRJSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26Cl2N4O2/c1-21(39-35(43)29-19-33(23-12-16-25(37)17-13-23)41-31-9-5-3-7-27(29)31)20-38-34(42)28-18-32(22-10-14-24(36)15-11-22)40-30-8-4-2-6-26(28)30/h2-19,21H,20H2,1H3,(H,38,42)(H,39,43).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide has a molecular weight of 605.53 g/mol, XLogP of 7.97, 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]propyl]quinoline-4-carboxamide is sourced from PubChem (CID 5141556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).