2-cyclohex-2-en-1-yl-4-methoxyquinoline

C16H17NO — CID 20743625

IUPAC2-cyclohex-2-en-1-yl-4-methoxyquinoline
SMILESCOc1cc(C2C=CCCC2)nc2ccccc12
InChIInChI=1S/C16H17NO/c1-18-16-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16/h3,5-7,9-12H,2,4,8H2,1H3
InChIKeyFVVVGZUNVWNEOQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.07
Rot. Bonds2

About 2-cyclohex-2-en-1-yl-4-methoxyquinoline

2-cyclohex-2-en-1-yl-4-methoxyquinoline (PubChem CID 20743625) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-4-methoxyquinoline.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-4-methoxyquinoline
PubChem CID20743625
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-cyclohex-2-en-1-yl-4-methoxyquinoline
SMILESCOc1cc(C2C=CCCC2)nc2ccccc12
InChIInChI=1S/C16H17NO/c1-18-16-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16/h3,5-7,9-12H,2,4,8H2,1H3
InChIKeyFVVVGZUNVWNEOQ-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-4-methoxyquinoline?
The IUPAC name of 2-cyclohex-2-en-1-yl-4-methoxyquinoline (CID 20743625) is 2-cyclohex-2-en-1-yl-4-methoxyquinoline.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-4-methoxyquinoline?
The canonical SMILES for 2-cyclohex-2-en-1-yl-4-methoxyquinoline is COc1cc(C2C=CCCC2)nc2ccccc12.
What is the InChIKey of 2-cyclohex-2-en-1-yl-4-methoxyquinoline?
The InChIKey is FVVVGZUNVWNEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-18-16-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16/h3,5-7,9-12H,2,4,8H2,1H3.
What are the key properties of 2-cyclohex-2-en-1-yl-4-methoxyquinoline?
2-cyclohex-2-en-1-yl-4-methoxyquinoline has a molecular weight of 239.32 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-4-methoxyquinoline is sourced from PubChem (CID 20743625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).