3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide

C18H15Cl2N3O — CID 109042389

IUPAC3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide
SMILESO=C(CCNc1cc(Cl)ccc1Cl)Nc1cccc2cccnc12
InChIInChI=1S/C18H15Cl2N3O/c19-13-6-7-14(20)16(11-13)21-10-8-17(24)23-15-5-1-3-12-4-2-9-22-18(12)15/h1-7,9,11,21H,8,10H2,(H,23,24)
InChIKeyXQUWTVCTKIRVAF-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.98
Rot. Bonds5

About 3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide

3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide (PubChem CID 109042389) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is 3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide
PubChem CID109042389
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC Name3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide
SMILESO=C(CCNc1cc(Cl)ccc1Cl)Nc1cccc2cccnc12
InChIInChI=1S/C18H15Cl2N3O/c19-13-6-7-14(20)16(11-13)21-10-8-17(24)23-15-5-1-3-12-4-2-9-22-18(12)15/h1-7,9,11,21H,8,10H2,(H,23,24)
InChIKeyXQUWTVCTKIRVAF-UHFFFAOYSA-N
XLogP4.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide 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

N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010978
N'-(2,5-dichlorophenyl)-N-quinolin-8-yloxamide
CID 108501076
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237
2-(2,4-dichlorophenoxy)-N-quinolin-8-ylacetamide
CID 2180532
2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide
CID 37001376
N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide
CID 109040020
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035917
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
4-(2-chlorophenyl)-N-quinolin-8-ylpentanamide
CID 121339507
3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide
CID 109020977

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide (CID 109042389) is 3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide is O=C(CCNc1cc(Cl)ccc1Cl)Nc1cccc2cccnc12.
What is the InChIKey of 3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide?
The InChIKey is XQUWTVCTKIRVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c19-13-6-7-14(20)16(11-13)21-10-8-17(24)23-15-5-1-3-12-4-2-9-22-18(12)15/h1-7,9,11,21H,8,10H2,(H,23,24).
What are the key properties of 3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide?
3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide has a molecular weight of 360.24 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 109042389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).