4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide

C24H21ClN4O — CID 91513196

IUPAC4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide
SMILESO=C(CCCCl)NN=C(Cc1ccnc2ccccc12)c1ccc2ccccc2n1
InChIInChI=1S/C24H21ClN4O/c25-14-5-10-24(30)29-28-23(22-12-11-17-6-1-3-8-20(17)27-22)16-18-13-15-26-21-9-4-2-7-19(18)21/h1-4,6-9,11-13,15H,5,10,14,16H2,(H,29,30)
InChIKeyFABHSAZHUGXDBI-UHFFFAOYSA-N
MW416.91 g/mol
LogP4.86
Rot. Bonds7

About 4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide

4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide (PubChem CID 91513196) has the molecular formula C24H21ClN4O and a molecular weight of 416.91 g/mol. Its IUPAC name is 4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide.

Molecular Properties

Compound Name4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide
PubChem CID91513196
Molecular FormulaC24H21ClN4O
Molecular Weight416.91 g/mol
Exact Mass416.14
IUPAC Name4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide
SMILESO=C(CCCCl)NN=C(Cc1ccnc2ccccc12)c1ccc2ccccc2n1
InChIInChI=1S/C24H21ClN4O/c25-14-5-10-24(30)29-28-23(22-12-11-17-6-1-3-8-20(17)27-22)16-18-13-15-26-21-9-4-2-7-19(18)21/h1-4,6-9,11-13,15H,5,10,14,16H2,(H,29,30)
InChIKeyFABHSAZHUGXDBI-UHFFFAOYSA-N
XLogP4.86
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper;quinoline-2-carboxylic acid
CID 68537473
1-quinolin-2-ylbutan-1-one
CID 14895778
1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone
CID 11140584
1-quinolin-4-ylbutan-2-one
CID 15695851
quinoline-2-carboxamide;quinoxaline
CID 159476975
europium;quinoline-2-carboxylic acid
CID 87730482
N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide
CID 134791858
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide
CID 3710730
N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide
CID 60653534
N'-butanoylquinoline-2-carbohydrazide
CID 29266790
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide?
The IUPAC name of 4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide (CID 91513196) is 4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide.
What is the SMILES notation for 4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide?
The canonical SMILES for 4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide is O=C(CCCCl)NN=C(Cc1ccnc2ccccc12)c1ccc2ccccc2n1.
What is the InChIKey of 4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide?
The InChIKey is FABHSAZHUGXDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O/c25-14-5-10-24(30)29-28-23(22-12-11-17-6-1-3-8-20(17)27-22)16-18-13-15-26-21-9-4-2-7-19(18)21/h1-4,6-9,11-13,15H,5,10,14,16H2,(H,29,30).
What are the key properties of 4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide?
4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide has a molecular weight of 416.91 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-quinolin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide is sourced from PubChem (CID 91513196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).