5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline

C22H22ClN — CID 154960050

IUPAC5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline
SMILESCc1cc(-c2ccc3c(Cl)cccc3n2)cc(C2CCCCC2)c1
InChIInChI=1S/C22H22ClN/c1-15-12-17(16-6-3-2-4-7-16)14-18(13-15)21-11-10-19-20(23)8-5-9-22(19)24-21/h5,8-14,16H,2-4,6-7H2,1H3
InChIKeyVIIVVTUCGKXURW-UHFFFAOYSA-N
MW335.88 g/mol
LogP6.91
Rot. Bonds2

About 5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline

5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline (PubChem CID 154960050) has the molecular formula C22H22ClN and a molecular weight of 335.88 g/mol. Its IUPAC name is 5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline.

Molecular Properties

Compound Name5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline
PubChem CID154960050
Molecular FormulaC22H22ClN
Molecular Weight335.88 g/mol
Exact Mass335.14
IUPAC Name5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline
SMILESCc1cc(-c2ccc3c(Cl)cccc3n2)cc(C2CCCCC2)c1
InChIInChI=1S/C22H22ClN/c1-15-12-17(16-6-3-2-4-7-16)14-18(13-15)21-11-10-19-20(23)8-5-9-22(19)24-21/h5,8-14,16H,2-4,6-7H2,1H3
InChIKeyVIIVVTUCGKXURW-UHFFFAOYSA-N
XLogP6.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.88
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline?
The IUPAC name of 5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline (CID 154960050) is 5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline.
What is the SMILES notation for 5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline?
The canonical SMILES for 5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline is Cc1cc(-c2ccc3c(Cl)cccc3n2)cc(C2CCCCC2)c1.
What is the InChIKey of 5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline?
The InChIKey is VIIVVTUCGKXURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN/c1-15-12-17(16-6-3-2-4-7-16)14-18(13-15)21-11-10-19-20(23)8-5-9-22(19)24-21/h5,8-14,16H,2-4,6-7H2,1H3.
What are the key properties of 5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline?
5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline has a molecular weight of 335.88 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline is sourced from PubChem (CID 154960050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).