2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide

C25H22N2O — CID 2932589

IUPAC2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
SMILESCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H22N2O/c1-2-22(18-11-5-3-6-12-18)27-25(28)21-17-24(19-13-7-4-8-14-19)26-23-16-10-9-15-20(21)23/h3-17,22H,2H2,1H3,(H,27,28)
InChIKeyMXNGYQJJYRVGGJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.78
Rot. Bonds5

About 2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide

2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide (PubChem CID 2932589) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
PubChem CID2932589
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
SMILESCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H22N2O/c1-2-22(18-11-5-3-6-12-18)27-25(28)21-17-24(19-13-7-4-8-14-19)26-23-16-10-9-15-20(21)23/h3-17,22H,2H2,1H3,(H,27,28)
InChIKeyMXNGYQJJYRVGGJ-UHFFFAOYSA-N
XLogP5.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide (CID 2932589) is 2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide is CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide?
The InChIKey is MXNGYQJJYRVGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-2-22(18-11-5-3-6-12-18)27-25(28)21-17-24(19-13-7-4-8-14-19)26-23-16-10-9-15-20(21)23/h3-17,22H,2H2,1H3,(H,27,28).
What are the key properties of 2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide?
2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 2932589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).