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

C23H16F2N2O — CID 147242941

IUPAC6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxamide
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(N)=O
InChIInChI=1S/C23H16F2N2O/c1-13-21(23(26)28)18-12-16(24)10-11-20(18)27-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H2,26,28)
InChIKeyCLDBVOKEECSAII-UHFFFAOYSA-N
MW374.39 g/mol
LogP5.25
Rot. Bonds3

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

6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxamide (PubChem CID 147242941) has the molecular formula C23H16F2N2O and a molecular weight of 374.39 g/mol. Its IUPAC name is 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxamide
PubChem CID147242941
Molecular FormulaC23H16F2N2O
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Name6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxamide
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(N)=O
InChIInChI=1S/C23H16F2N2O/c1-13-21(23(26)28)18-12-16(24)10-11-20(18)27-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H2,26,28)
InChIKeyCLDBVOKEECSAII-UHFFFAOYSA-N
XLogP5.25
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.39
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxamide (CID 147242941) is 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxamide is Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(N)=O.
What is the InChIKey of 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxamide?
The InChIKey is CLDBVOKEECSAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O/c1-13-21(23(26)28)18-12-16(24)10-11-20(18)27-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H2,26,28).
What are the key properties of 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxamide?
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 147242941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).