N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide

C24H18F2N2O2 — CID 1291424

IUPACN-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(F)cc3F)c2C)cc1
InChIInChI=1S/C24H18F2N2O2/c1-14-22(24(29)28-21-12-9-16(25)13-19(21)26)18-5-3-4-6-20(18)27-23(14)15-7-10-17(30-2)11-8-15/h3-13H,1-2H3,(H,28,29)
InChIKeyYOWWTNPBWYIKTQ-UHFFFAOYSA-N
MW404.42 g/mol
LogP5.75
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide

N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide (PubChem CID 1291424) has the molecular formula C24H18F2N2O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
PubChem CID1291424
Molecular FormulaC24H18F2N2O2
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC NameN-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(F)cc3F)c2C)cc1
InChIInChI=1S/C24H18F2N2O2/c1-14-22(24(29)28-21-12-9-16(25)13-19(21)26)18-5-3-4-6-20(18)27-23(14)15-7-10-17(30-2)11-8-15/h3-13H,1-2H3,(H,28,29)
InChIKeyYOWWTNPBWYIKTQ-UHFFFAOYSA-N
XLogP5.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.42
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-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-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide (CID 1291424) is N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide is COc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(F)cc3F)c2C)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The InChIKey is YOWWTNPBWYIKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O2/c1-14-22(24(29)28-21-12-9-16(25)13-19(21)26)18-5-3-4-6-20(18)27-23(14)15-7-10-17(30-2)11-8-15/h3-13H,1-2H3,(H,28,29).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 1291424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).