8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine

C16H21NO — CID 102218112

IUPAC8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine
SMILESCOc1ccc(C2=CCN3CCCCC3C2)cc1
InChIInChI=1S/C16H21NO/c1-18-16-7-5-13(6-8-16)14-9-11-17-10-3-2-4-15(17)12-14/h5-9,15H,2-4,10-12H2,1H3
InChIKeyUFTOIQYLUODDLC-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.34
Rot. Bonds2

About 8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine

8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine (PubChem CID 102218112) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine
PubChem CID102218112
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine
SMILESCOc1ccc(C2=CCN3CCCCC3C2)cc1
InChIInChI=1S/C16H21NO/c1-18-16-7-5-13(6-8-16)14-9-11-17-10-3-2-4-15(17)12-14/h5-9,15H,2-4,10-12H2,1H3
InChIKeyUFTOIQYLUODDLC-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine 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 8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine?
The IUPAC name of 8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine (CID 102218112) is 8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine.
What is the SMILES notation for 8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine?
The canonical SMILES for 8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine is COc1ccc(C2=CCN3CCCCC3C2)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine?
The InChIKey is UFTOIQYLUODDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-18-16-7-5-13(6-8-16)14-9-11-17-10-3-2-4-15(17)12-14/h5-9,15H,2-4,10-12H2,1H3.
What are the key properties of 8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine?
8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine has a molecular weight of 243.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine is sourced from PubChem (CID 102218112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).