6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide

C24H18F2N2O2 — CID 154702659

IUPAC6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide
SMILESCONC(=O)c1c(C)c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc12
InChIInChI=1S/C24H18F2N2O2/c1-14-22(24(29)28-30-2)19-13-17(25)11-12-21(19)27-23(14)16-9-7-15(8-10-16)18-5-3-4-6-20(18)26/h3-13H,1-2H3,(H,28,29)
InChIKeyXPBXJYBHOVBFDA-UHFFFAOYSA-N
MW404.42 g/mol
LogP5.45
Rot. Bonds4

About 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide

6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide (PubChem CID 154702659) has the molecular formula C24H18F2N2O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide
PubChem CID154702659
Molecular FormulaC24H18F2N2O2
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide
SMILESCONC(=O)c1c(C)c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc12
InChIInChI=1S/C24H18F2N2O2/c1-14-22(24(29)28-30-2)19-13-17(25)11-12-21(19)27-23(14)16-9-7-15(8-10-16)18-5-3-4-6-20(18)26/h3-13H,1-2H3,(H,28,29)
InChIKeyXPBXJYBHOVBFDA-UHFFFAOYSA-N
XLogP5.45
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 ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-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 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide (CID 154702659) is 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide is CONC(=O)c1c(C)c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide?
The InChIKey is XPBXJYBHOVBFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O2/c1-14-22(24(29)28-30-2)19-13-17(25)11-12-21(19)27-23(14)16-9-7-15(8-10-16)18-5-3-4-6-20(18)26/h3-13H,1-2H3,(H,28,29).
What are the key properties of 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide?
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-methoxy-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 154702659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).