6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline

C22H15ClFN — CID 8966968

IUPAC6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline
SMILESCc1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1F
InChIInChI=1S/C22H15ClFN/c1-14-21(17-9-5-6-10-19(17)24)18-13-16(23)11-12-20(18)25-22(14)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyJRILYEURCFNEJJ-UHFFFAOYSA-N
MW347.82 g/mol
LogP6.67
Rot. Bonds2

About 6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline

6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline (PubChem CID 8966968) has the molecular formula C22H15ClFN and a molecular weight of 347.82 g/mol. Its IUPAC name is 6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline.

Molecular Properties

Compound Name6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline
PubChem CID8966968
Molecular FormulaC22H15ClFN
Molecular Weight347.82 g/mol
Exact Mass347.09
IUPAC Name6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline
SMILESCc1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1F
InChIInChI=1S/C22H15ClFN/c1-14-21(17-9-5-6-10-19(17)24)18-13-16(23)11-12-20(18)25-22(14)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyJRILYEURCFNEJJ-UHFFFAOYSA-N
XLogP6.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.82
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline?
The IUPAC name of 6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline (CID 8966968) is 6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline.
What is the SMILES notation for 6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline?
The canonical SMILES for 6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline is Cc1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1F.
What is the InChIKey of 6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline?
The InChIKey is JRILYEURCFNEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN/c1-14-21(17-9-5-6-10-19(17)24)18-13-16(23)11-12-20(18)25-22(14)15-7-3-2-4-8-15/h2-13H,1H3.
What are the key properties of 6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline?
6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline has a molecular weight of 347.82 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline is sourced from PubChem (CID 8966968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).