5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline

C24H27N — CID 70911739

IUPAC5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline
SMILESCc1ccc(-c2ccc(CCC3CCCCC3)cc2)c2cccnc12
InChIInChI=1S/C24H27N/c1-18-9-16-22(23-8-5-17-25-24(18)23)21-14-12-20(13-15-21)11-10-19-6-3-2-4-7-19/h5,8-9,12-17,19H,2-4,6-7,10-11H2,1H3
InChIKeyLRXCPSYLFRAXIF-UHFFFAOYSA-N
MW329.49 g/mol
LogP6.72
Rot. Bonds4

About 5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline

5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline (PubChem CID 70911739) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline.

Molecular Properties

Compound Name5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline
PubChem CID70911739
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline
SMILESCc1ccc(-c2ccc(CCC3CCCCC3)cc2)c2cccnc12
InChIInChI=1S/C24H27N/c1-18-9-16-22(23-8-5-17-25-24(18)23)21-14-12-20(13-15-21)11-10-19-6-3-2-4-7-19/h5,8-9,12-17,19H,2-4,6-7,10-11H2,1H3
InChIKeyLRXCPSYLFRAXIF-UHFFFAOYSA-N
XLogP6.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline?
The IUPAC name of 5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline (CID 70911739) is 5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline.
What is the SMILES notation for 5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline?
The canonical SMILES for 5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline is Cc1ccc(-c2ccc(CCC3CCCCC3)cc2)c2cccnc12.
What is the InChIKey of 5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline?
The InChIKey is LRXCPSYLFRAXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-18-9-16-22(23-8-5-17-25-24(18)23)21-14-12-20(13-15-21)11-10-19-6-3-2-4-7-19/h5,8-9,12-17,19H,2-4,6-7,10-11H2,1H3.
What are the key properties of 5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline?
5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline has a molecular weight of 329.49 g/mol, XLogP of 6.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyclohexylethyl)phenyl]-8-methylquinoline is sourced from PubChem (CID 70911739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).