2-(cyclohexen-1-yl)-3-methoxyquinoline

C16H17NO — CID 140669525

IUPAC2-(cyclohexen-1-yl)-3-methoxyquinoline
SMILESCOc1cc2ccccc2nc1C1=CCCCC1
InChIInChI=1S/C16H17NO/c1-18-15-11-13-9-5-6-10-14(13)17-16(15)12-7-3-2-4-8-12/h5-7,9-11H,2-4,8H2,1H3
InChIKeyKZEACBPTEIPKQH-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.20
Rot. Bonds2

About 2-(cyclohexen-1-yl)-3-methoxyquinoline

2-(cyclohexen-1-yl)-3-methoxyquinoline (PubChem CID 140669525) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-3-methoxyquinoline.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-3-methoxyquinoline
PubChem CID140669525
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-(cyclohexen-1-yl)-3-methoxyquinoline
SMILESCOc1cc2ccccc2nc1C1=CCCCC1
InChIInChI=1S/C16H17NO/c1-18-15-11-13-9-5-6-10-14(13)17-16(15)12-7-3-2-4-8-12/h5-7,9-11H,2-4,8H2,1H3
InChIKeyKZEACBPTEIPKQH-UHFFFAOYSA-N
XLogP4.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-3-methoxyquinoline?
The IUPAC name of 2-(cyclohexen-1-yl)-3-methoxyquinoline (CID 140669525) is 2-(cyclohexen-1-yl)-3-methoxyquinoline.
What is the SMILES notation for 2-(cyclohexen-1-yl)-3-methoxyquinoline?
The canonical SMILES for 2-(cyclohexen-1-yl)-3-methoxyquinoline is COc1cc2ccccc2nc1C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-3-methoxyquinoline?
The InChIKey is KZEACBPTEIPKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-18-15-11-13-9-5-6-10-14(13)17-16(15)12-7-3-2-4-8-12/h5-7,9-11H,2-4,8H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-3-methoxyquinoline?
2-(cyclohexen-1-yl)-3-methoxyquinoline has a molecular weight of 239.32 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-3-methoxyquinoline is sourced from PubChem (CID 140669525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).