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

C22H23N — CID 138464216

IUPAC5-cyclohexyl-2-(3-methylphenyl)quinoline
SMILESCc1cccc(-c2ccc3c(C4CCCCC4)cccc3n2)c1
InChIInChI=1S/C22H23N/c1-16-7-5-10-18(15-16)21-14-13-20-19(11-6-12-22(20)23-21)17-8-3-2-4-9-17/h5-7,10-15,17H,2-4,8-9H2,1H3
InChIKeyOFRSNUABCZIMDS-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.26
Rot. Bonds2

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

5-cyclohexyl-2-(3-methylphenyl)quinoline (PubChem CID 138464216) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 5-cyclohexyl-2-(3-methylphenyl)quinoline.

Molecular Properties

Compound Name5-cyclohexyl-2-(3-methylphenyl)quinoline
PubChem CID138464216
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name5-cyclohexyl-2-(3-methylphenyl)quinoline
SMILESCc1cccc(-c2ccc3c(C4CCCCC4)cccc3n2)c1
InChIInChI=1S/C22H23N/c1-16-7-5-10-18(15-16)21-14-13-20-19(11-6-12-22(20)23-21)17-8-3-2-4-9-17/h5-7,10-15,17H,2-4,8-9H2,1H3
InChIKeyOFRSNUABCZIMDS-UHFFFAOYSA-N
XLogP6.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-(3-methylphenyl)quinoline?
The IUPAC name of 5-cyclohexyl-2-(3-methylphenyl)quinoline (CID 138464216) is 5-cyclohexyl-2-(3-methylphenyl)quinoline.
What is the SMILES notation for 5-cyclohexyl-2-(3-methylphenyl)quinoline?
The canonical SMILES for 5-cyclohexyl-2-(3-methylphenyl)quinoline is Cc1cccc(-c2ccc3c(C4CCCCC4)cccc3n2)c1.
What is the InChIKey of 5-cyclohexyl-2-(3-methylphenyl)quinoline?
The InChIKey is OFRSNUABCZIMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-16-7-5-10-18(15-16)21-14-13-20-19(11-6-12-22(20)23-21)17-8-3-2-4-9-17/h5-7,10-15,17H,2-4,8-9H2,1H3.
What are the key properties of 5-cyclohexyl-2-(3-methylphenyl)quinoline?
5-cyclohexyl-2-(3-methylphenyl)quinoline has a molecular weight of 301.43 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-(3-methylphenyl)quinoline is sourced from PubChem (CID 138464216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).