N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide

C21H19Cl2N3O2 — CID 8991107

IUPACN-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(NCCCNC(=O)C(Cl)Cl)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H19Cl2N3O2/c22-19(23)21(28)25-12-6-11-24-20(27)16-13-18(14-7-2-1-3-8-14)26-17-10-5-4-9-15(16)17/h1-5,7-10,13,19H,6,11-12H2,(H,24,27)(H,25,28)
InChIKeyHMJFNCFLILGGAO-UHFFFAOYSA-N
MW416.31 g/mol
LogP3.94
Rot. Bonds7

About N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide

N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide (PubChem CID 8991107) has the molecular formula C21H19Cl2N3O2 and a molecular weight of 416.31 g/mol. Its IUPAC name is N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide
PubChem CID8991107
Molecular FormulaC21H19Cl2N3O2
Molecular Weight416.31 g/mol
Exact Mass415.09
IUPAC NameN-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(NCCCNC(=O)C(Cl)Cl)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H19Cl2N3O2/c22-19(23)21(28)25-12-6-11-24-20(27)16-13-18(14-7-2-1-3-8-14)26-17-10-5-4-9-15(16)17/h1-5,7-10,13,19H,6,11-12H2,(H,24,27)(H,25,28)
InChIKeyHMJFNCFLILGGAO-UHFFFAOYSA-N
XLogP3.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide 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-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide (CID 8991107) is N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide is O=C(NCCCNC(=O)C(Cl)Cl)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is HMJFNCFLILGGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O2/c22-19(23)21(28)25-12-6-11-24-20(27)16-13-18(14-7-2-1-3-8-14)26-17-10-5-4-9-15(16)17/h1-5,7-10,13,19H,6,11-12H2,(H,24,27)(H,25,28).
What are the key properties of N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide?
N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 416.31 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 8991107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).