3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline

C19H23NO3 — CID 135341261

IUPAC3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline
SMILESCOc1cc2nc(C)c(C3CC=CCC3)cc2c(OC)c1OC
InChIInChI=1S/C19H23NO3/c1-12-14(13-8-6-5-7-9-13)10-15-16(20-12)11-17(21-2)19(23-4)18(15)22-3/h5-6,10-11,13H,7-9H2,1-4H3
InChIKeyCHJRNZZMCWYFNM-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.39
Rot. Bonds4

About 3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline

3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline (PubChem CID 135341261) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline.

Molecular Properties

Compound Name3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline
PubChem CID135341261
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline
SMILESCOc1cc2nc(C)c(C3CC=CCC3)cc2c(OC)c1OC
InChIInChI=1S/C19H23NO3/c1-12-14(13-8-6-5-7-9-13)10-15-16(20-12)11-17(21-2)19(23-4)18(15)22-3/h5-6,10-11,13H,7-9H2,1-4H3
InChIKeyCHJRNZZMCWYFNM-UHFFFAOYSA-N
XLogP4.39
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline 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-5,6,7-trimethoxy-2-methylquinoline?
The IUPAC name of 3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline (CID 135341261) is 3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline.
What is the SMILES notation for 3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline?
The canonical SMILES for 3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline is COc1cc2nc(C)c(C3CC=CCC3)cc2c(OC)c1OC.
What is the InChIKey of 3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline?
The InChIKey is CHJRNZZMCWYFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-14(13-8-6-5-7-9-13)10-15-16(20-12)11-17(21-2)19(23-4)18(15)22-3/h5-6,10-11,13H,7-9H2,1-4H3.
What are the key properties of 3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline?
3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline has a molecular weight of 313.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline is sourced from PubChem (CID 135341261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).