3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline

C19H23N — CID 135341255

IUPAC3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline
SMILESCCc1nc2cc(C)cc(C)c2cc1C1CC=CCC1
InChIInChI=1S/C19H23N/c1-4-18-17(15-8-6-5-7-9-15)12-16-14(3)10-13(2)11-19(16)20-18/h5-6,10-12,15H,4,7-9H2,1-3H3
InChIKeyPLCCVLJRVJDJBP-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.24
Rot. Bonds2

About 3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline

3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline (PubChem CID 135341255) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline.

Molecular Properties

Compound Name3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline
PubChem CID135341255
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline
SMILESCCc1nc2cc(C)cc(C)c2cc1C1CC=CCC1
InChIInChI=1S/C19H23N/c1-4-18-17(15-8-6-5-7-9-15)12-16-14(3)10-13(2)11-19(16)20-18/h5-6,10-12,15H,4,7-9H2,1-3H3
InChIKeyPLCCVLJRVJDJBP-UHFFFAOYSA-N
XLogP5.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline?
The IUPAC name of 3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline (CID 135341255) is 3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline.
What is the SMILES notation for 3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline?
The canonical SMILES for 3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline is CCc1nc2cc(C)cc(C)c2cc1C1CC=CCC1.
What is the InChIKey of 3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline?
The InChIKey is PLCCVLJRVJDJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-4-18-17(15-8-6-5-7-9-15)12-16-14(3)10-13(2)11-19(16)20-18/h5-6,10-12,15H,4,7-9H2,1-3H3.
What are the key properties of 3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline?
3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline has a molecular weight of 265.40 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-3-en-1-yl-2-ethyl-5,7-dimethylquinoline is sourced from PubChem (CID 135341255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).