N,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide

C25H17Cl2N3O2 — CID 55355645

IUPACN,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide
SMILESO=C(Nc1ccccc1Cl)C(=Cc1ccc2ncccc2c1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C25H17Cl2N3O2/c26-19-7-1-3-9-22(19)29-24(31)18(25(32)30-23-10-4-2-8-20(23)27)15-16-11-12-21-17(14-16)6-5-13-28-21/h1-15H,(H,29,31)(H,30,32)
InChIKeySSPQIUQQBGUTID-UHFFFAOYSA-N
MW462.34 g/mol
LogP6.20
Rot. Bonds5

About N,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide

N,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide (PubChem CID 55355645) has the molecular formula C25H17Cl2N3O2 and a molecular weight of 462.34 g/mol. Its IUPAC name is N,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide
PubChem CID55355645
Molecular FormulaC25H17Cl2N3O2
Molecular Weight462.34 g/mol
Exact Mass461.07
IUPAC NameN,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide
SMILESO=C(Nc1ccccc1Cl)C(=Cc1ccc2ncccc2c1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C25H17Cl2N3O2/c26-19-7-1-3-9-22(19)29-24(31)18(25(32)30-23-10-4-2-8-20(23)27)15-16-11-12-21-17(14-16)6-5-13-28-21/h1-15H,(H,29,31)(H,30,32)
InChIKeySSPQIUQQBGUTID-UHFFFAOYSA-N
XLogP6.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.34
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2-fluorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide
CID 55353614
N,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide
CID 35719335
(Z)-2-(2,6-dichlorobenzoyl)-3-quinolin-6-ylprop-2-enenitrile
CID 55772039
6-(2-fluoroprop-1-enyl)quinoline
CID 91586945
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
N-hydroxy-3-quinolin-6-ylprop-2-enamide
CID 85112903
(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
CID 13382828
(E)-N-methyl-3-quinolin-6-ylprop-2-enamide
CID 143759585
(E)-1-(3-chlorophenyl)-3-quinolin-6-ylprop-2-en-1-one
CID 55353592
2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
CID 2374084
1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
CID 126339621
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide?
The IUPAC name of N,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide (CID 55355645) is N,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide.
What is the SMILES notation for N,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide?
The canonical SMILES for N,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide is O=C(Nc1ccccc1Cl)C(=Cc1ccc2ncccc2c1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide?
The InChIKey is SSPQIUQQBGUTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2N3O2/c26-19-7-1-3-9-22(19)29-24(31)18(25(32)30-23-10-4-2-8-20(23)27)15-16-11-12-21-17(14-16)6-5-13-28-21/h1-15H,(H,29,31)(H,30,32).
What are the key properties of N,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide?
N,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide has a molecular weight of 462.34 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide is sourced from PubChem (CID 55355645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).