N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide

C24H19FN2O — CID 2163514

IUPACN-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H19FN2O/c1-16-6-10-18(11-7-16)23-14-21(20-4-2-3-5-22(20)27-23)24(28)26-15-17-8-12-19(25)13-9-17/h2-14H,15H2,1H3,(H,26,28)
InChIKeyGKIJAQMVLUMRMJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP5.28
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide

N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 2163514) has the molecular formula C24H19FN2O and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID2163514
Molecular FormulaC24H19FN2O
Molecular Weight370.43 g/mol
Exact Mass370.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H19FN2O/c1-16-6-10-18(11-7-16)23-14-21(20-4-2-3-5-22(20)27-23)24(28)26-15-17-8-12-19(25)13-9-17/h2-14H,15H2,1H3,(H,26,28)
InChIKeyGKIJAQMVLUMRMJ-UHFFFAOYSA-N
XLogP5.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-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

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide (CID 2163514) is N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is GKIJAQMVLUMRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O/c1-16-6-10-18(11-7-16)23-14-21(20-4-2-3-5-22(20)27-23)24(28)26-15-17-8-12-19(25)13-9-17/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2163514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).