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

C22H19ClN4O — CID 2862919

IUPAC2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C22H19ClN4O/c23-17-8-6-16(7-9-17)21-14-19(18-4-1-2-5-20(18)26-21)22(28)25-10-3-12-27-13-11-24-15-27/h1-2,4-9,11,13-15H,3,10,12H2,(H,25,28)
InChIKeyNSJCIOZWWJRRDU-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.57
Rot. Bonds6

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

2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide (PubChem CID 2862919) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
PubChem CID2862919
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C22H19ClN4O/c23-17-8-6-16(7-9-17)21-14-19(18-4-1-2-5-20(18)26-21)22(28)25-10-3-12-27-13-11-24-15-27/h1-2,4-9,11,13-15H,3,10,12H2,(H,25,28)
InChIKeyNSJCIOZWWJRRDU-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide (CID 2862919) is 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide is O=C(NCCCn1ccnc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The InChIKey is NSJCIOZWWJRRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c23-17-8-6-16(7-9-17)21-14-19(18-4-1-2-5-20(18)26-21)22(28)25-10-3-12-27-13-11-24-15-27/h1-2,4-9,11,13-15H,3,10,12H2,(H,25,28).
What are the key properties of 2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
2-(4-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-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 2862919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).