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

C24H20N2O — CID 2849628

IUPAC2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H20N2O/c1-17(18-10-4-2-5-11-18)25-24(27)21-16-23(19-12-6-3-7-13-19)26-22-15-9-8-14-20(21)22/h2-17H,1H3,(H,25,27)
InChIKeyIEDWYQQEMKCMSQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.39
Rot. Bonds4

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

2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide (PubChem CID 2849628) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
PubChem CID2849628
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H20N2O/c1-17(18-10-4-2-5-11-18)25-24(27)21-16-23(19-12-6-3-7-13-19)26-22-15-9-8-14-20(21)22/h2-17H,1H3,(H,25,27)
InChIKeyIEDWYQQEMKCMSQ-UHFFFAOYSA-N
XLogP5.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.39
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-phenylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide (CID 2849628) is 2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide is CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide?
The InChIKey is IEDWYQQEMKCMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-17(18-10-4-2-5-11-18)25-24(27)21-16-23(19-12-6-3-7-13-19)26-22-15-9-8-14-20(21)22/h2-17H,1H3,(H,25,27).
What are the key properties of 2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide?
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 2849628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).