6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline

C13H23NO — CID 13340656

IUPAC6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline
SMILESCCCN1CCCC2CC(OC)=CCC21
InChIInChI=1S/C13H23NO/c1-3-8-14-9-4-5-11-10-12(15-2)6-7-13(11)14/h6,11,13H,3-5,7-10H2,1-2H3
InChIKeyNZKLCHAWMMXHDT-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.80
Rot. Bonds3

About 6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline

6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline (PubChem CID 13340656) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline.

Molecular Properties

Compound Name6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline
PubChem CID13340656
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline
SMILESCCCN1CCCC2CC(OC)=CCC21
InChIInChI=1S/C13H23NO/c1-3-8-14-9-4-5-11-10-12(15-2)6-7-13(11)14/h6,11,13H,3-5,7-10H2,1-2H3
InChIKeyNZKLCHAWMMXHDT-UHFFFAOYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline 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 6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline?
The IUPAC name of 6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline (CID 13340656) is 6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline.
What is the SMILES notation for 6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline?
The canonical SMILES for 6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline is CCCN1CCCC2CC(OC)=CCC21.
What is the InChIKey of 6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline?
The InChIKey is NZKLCHAWMMXHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-8-14-9-4-5-11-10-12(15-2)6-7-13(11)14/h6,11,13H,3-5,7-10H2,1-2H3.
What are the key properties of 6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline?
6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline has a molecular weight of 209.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline is sourced from PubChem (CID 13340656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).