2-cyclohexyl-4-methylquinoline

C16H19N — CID 175925044

IUPAC2-cyclohexyl-4-methylquinoline
SMILESCc1c[13c](C2CCCCC2)nc2ccccc12
InChIInChI=1S/C16H19N/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h5-6,9-11,13H,2-4,7-8H2,1H3/i16+1
InChIKeyKACQZCHGLDZBFG-LOYIAQTISA-N
MW226.33 g/mol
LogP4.59
Rot. Bonds1

About 2-cyclohexyl-4-methylquinoline

2-cyclohexyl-4-methylquinoline (PubChem CID 175925044) has the molecular formula C16H19N and a molecular weight of 226.33 g/mol. Its IUPAC name is 2-cyclohexyl-4-methylquinoline.

Molecular Properties

Compound Name2-cyclohexyl-4-methylquinoline
PubChem CID175925044
Molecular FormulaC16H19N
Molecular Weight226.33 g/mol
Exact Mass226.16
IUPAC Name2-cyclohexyl-4-methylquinoline
SMILESCc1c[13c](C2CCCCC2)nc2ccccc12
InChIInChI=1S/C16H19N/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h5-6,9-11,13H,2-4,7-8H2,1H3/i16+1
InChIKeyKACQZCHGLDZBFG-LOYIAQTISA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-methylquinoline?
The IUPAC name of 2-cyclohexyl-4-methylquinoline (CID 175925044) is 2-cyclohexyl-4-methylquinoline.
What is the SMILES notation for 2-cyclohexyl-4-methylquinoline?
The canonical SMILES for 2-cyclohexyl-4-methylquinoline is Cc1c[13c](C2CCCCC2)nc2ccccc12.
What is the InChIKey of 2-cyclohexyl-4-methylquinoline?
The InChIKey is KACQZCHGLDZBFG-LOYIAQTISA-N. The full InChI is InChI=1S/C16H19N/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h5-6,9-11,13H,2-4,7-8H2,1H3/i16+1.
What are the key properties of 2-cyclohexyl-4-methylquinoline?
2-cyclohexyl-4-methylquinoline has a molecular weight of 226.33 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-methylquinoline is sourced from PubChem (CID 175925044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).