2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide

C35H24Cl4N4O2 — CID 3705403

IUPAC2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
SMILESO=C(NCCCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C35H24Cl4N4O2/c36-26-12-10-20(16-28(26)38)32-18-24(22-6-1-3-8-30(22)42-32)34(44)40-14-5-15-41-35(45)25-19-33(21-11-13-27(37)29(39)17-21)43-31-9-4-2-7-23(25)31/h1-4,6-13,16-19H,5,14-15H2,(H,40,44)(H,41,45)
InChIKeyQKQFCXNTOOFSDT-UHFFFAOYSA-N
MW674.42 g/mol
LogP9.28
Rot. Bonds8

About 2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide

2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide (PubChem CID 3705403) has the molecular formula C35H24Cl4N4O2 and a molecular weight of 674.42 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
PubChem CID3705403
Molecular FormulaC35H24Cl4N4O2
Molecular Weight674.42 g/mol
Exact Mass672.07
IUPAC Name2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
SMILESO=C(NCCCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C35H24Cl4N4O2/c36-26-12-10-20(16-28(26)38)32-18-24(22-6-1-3-8-30(22)42-32)34(44)40-14-5-15-41-35(45)25-19-33(21-11-13-27(37)29(39)17-21)43-31-9-4-2-7-23(25)31/h1-4,6-13,16-19H,5,14-15H2,(H,40,44)(H,41,45)
InChIKeyQKQFCXNTOOFSDT-UHFFFAOYSA-N
XLogP9.28
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.42
LogP ≤ 59.28
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-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide
CID 5209906
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide
CID 8991107
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5043299
2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride
CID 46779248
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 4613486

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide (CID 3705403) is 2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide is O=C(NCCCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
The InChIKey is QKQFCXNTOOFSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24Cl4N4O2/c36-26-12-10-20(16-28(26)38)32-18-24(22-6-1-3-8-30(22)42-32)34(44)40-14-5-15-41-35(45)25-19-33(21-11-13-27(37)29(39)17-21)43-31-9-4-2-7-23(25)31/h1-4,6-13,16-19H,5,14-15H2,(H,40,44)(H,41,45).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide has a molecular weight of 674.42 g/mol, XLogP of 9.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide is sourced from PubChem (CID 3705403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).