2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide

C22H19ClN4O — CID 17372668

IUPAC2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C22H19ClN4O/c23-17-6-3-5-16(13-17)21-14-19(18-7-1-2-8-20(18)26-21)22(28)25-9-4-11-27-12-10-24-15-27/h1-3,5-8,10,12-15H,4,9,11H2,(H,25,28)
InChIKeyAWALDKRAESESAJ-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.57
Rot. Bonds6

About 2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide

2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide (PubChem CID 17372668) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
PubChem CID17372668
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C22H19ClN4O/c23-17-6-3-5-16(13-17)21-14-19(18-7-1-2-8-20(18)26-21)22(28)25-9-4-11-27-12-10-24-15-27/h1-3,5-8,10,12-15H,4,9,11H2,(H,25,28)
InChIKeyAWALDKRAESESAJ-UHFFFAOYSA-N
XLogP4.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 29432371
2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 4606860
N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 72933899
2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 19584056
N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 17373735
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
2-(3-bromophenyl)-N-[8-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 4132785
2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403
2-(2,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methylquinoline-4-carboxamide
CID 3682044
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide (CID 17372668) is 2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide is O=C(NCCCn1ccnc1)c1cc(-c2cccc(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The InChIKey is AWALDKRAESESAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c23-17-6-3-5-16(13-17)21-14-19(18-7-1-2-8-20(18)26-21)22(28)25-9-4-11-27-12-10-24-15-27/h1-3,5-8,10,12-15H,4,9,11H2,(H,25,28).
What are the key properties of 2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 17372668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).