9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine

C14H19NO — CID 173152571

IUPAC9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine
SMILESCOC1=CC2CCN3CCCC=C3C2C=C1
InChIInChI=1S/C14H19NO/c1-16-12-5-6-13-11(10-12)7-9-15-8-3-2-4-14(13)15/h4-6,10-11,13H,2-3,7-9H2,1H3
InChIKeyGGZABKAWZRSGHU-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.70
Rot. Bonds1

About 9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine

9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine (PubChem CID 173152571) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine.

Molecular Properties

Compound Name9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine
PubChem CID173152571
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine
SMILESCOC1=CC2CCN3CCCC=C3C2C=C1
InChIInChI=1S/C14H19NO/c1-16-12-5-6-13-11(10-12)7-9-15-8-3-2-4-14(13)15/h4-6,10-11,13H,2-3,7-9H2,1H3
InChIKeyGGZABKAWZRSGHU-UHFFFAOYSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine?
The IUPAC name of 9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine (CID 173152571) is 9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine.
What is the SMILES notation for 9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine?
The canonical SMILES for 9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine is COC1=CC2CCN3CCCC=C3C2C=C1.
What is the InChIKey of 9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine?
The InChIKey is GGZABKAWZRSGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-12-5-6-13-11(10-12)7-9-15-8-3-2-4-14(13)15/h4-6,10-11,13H,2-3,7-9H2,1H3.
What are the key properties of 9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine?
9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine has a molecular weight of 217.31 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine is sourced from PubChem (CID 173152571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).