3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline

C23H16Cl2FN — CID 134360633

IUPAC3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline
SMILESCc1cc(-c2ccc(Cl)cc2F)cc(Cl)c1Cc1cnc2ccccc2c1
InChIInChI=1S/C23H16Cl2FN/c1-14-8-17(19-7-6-18(24)12-22(19)26)11-21(25)20(14)10-15-9-16-4-2-3-5-23(16)27-13-15/h2-9,11-13H,10H2,1H3
InChIKeyMFFGTAQTPDBGAM-UHFFFAOYSA-N
MW396.29 g/mol
LogP7.25
Rot. Bonds3

About 3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline

3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline (PubChem CID 134360633) has the molecular formula C23H16Cl2FN and a molecular weight of 396.29 g/mol. Its IUPAC name is 3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline.

Molecular Properties

Compound Name3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline
PubChem CID134360633
Molecular FormulaC23H16Cl2FN
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline
SMILESCc1cc(-c2ccc(Cl)cc2F)cc(Cl)c1Cc1cnc2ccccc2c1
InChIInChI=1S/C23H16Cl2FN/c1-14-8-17(19-7-6-18(24)12-22(19)26)11-21(25)20(14)10-15-9-16-4-2-3-5-23(16)27-13-15/h2-9,11-13H,10H2,1H3
InChIKeyMFFGTAQTPDBGAM-UHFFFAOYSA-N
XLogP7.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.29
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline?
The IUPAC name of 3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline (CID 134360633) is 3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline.
What is the SMILES notation for 3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline?
The canonical SMILES for 3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline is Cc1cc(-c2ccc(Cl)cc2F)cc(Cl)c1Cc1cnc2ccccc2c1.
What is the InChIKey of 3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline?
The InChIKey is MFFGTAQTPDBGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2FN/c1-14-8-17(19-7-6-18(24)12-22(19)26)11-21(25)20(14)10-15-9-16-4-2-3-5-23(16)27-13-15/h2-9,11-13H,10H2,1H3.
What are the key properties of 3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline?
3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline has a molecular weight of 396.29 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline is sourced from PubChem (CID 134360633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).