4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline

C23H15F4N — CID 162649846

IUPAC4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(F)F
InChIInChI=1S/C23H15F4N/c1-13-21(23(26)27)18-12-16(24)10-11-20(18)28-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12,23H,1H3
InChIKeyOJKYTGFSKOZBPT-UHFFFAOYSA-N
MW381.37 g/mol
LogP7.09
Rot. Bonds3

About 4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline

4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline (PubChem CID 162649846) has the molecular formula C23H15F4N and a molecular weight of 381.37 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline
PubChem CID162649846
Molecular FormulaC23H15F4N
Molecular Weight381.37 g/mol
Exact Mass381.11
IUPAC Name4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(F)F
InChIInChI=1S/C23H15F4N/c1-13-21(23(26)27)18-12-16(24)10-11-20(18)28-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12,23H,1H3
InChIKeyOJKYTGFSKOZBPT-UHFFFAOYSA-N
XLogP7.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.37
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline 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 4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline?
The IUPAC name of 4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline (CID 162649846) is 4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline?
The canonical SMILES for 4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline is Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline?
The InChIKey is OJKYTGFSKOZBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N/c1-13-21(23(26)27)18-12-16(24)10-11-20(18)28-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12,23H,1H3.
What are the key properties of 4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline?
4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline has a molecular weight of 381.37 g/mol, XLogP of 7.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline is sourced from PubChem (CID 162649846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).