7aH-benzo[a]quinolizine

C13H11N — CID 57313595

IUPAC7aH-benzo[a]quinolizine
SMILESC1=CC2=C3C=CC=CN3C=CC2C=C1
InChIInChI=1S/C13H11N/c1-2-6-12-11(5-1)8-10-14-9-4-3-7-13(12)14/h1-11H
InChIKeyVSYHVPUUTAWQEI-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.90
Rot. Bonds

About 7aH-benzo[a]quinolizine

7aH-benzo[a]quinolizine (PubChem CID 57313595) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 7aH-benzo[a]quinolizine.

Molecular Properties

Compound Name7aH-benzo[a]quinolizine
PubChem CID57313595
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name7aH-benzo[a]quinolizine
SMILESC1=CC2=C3C=CC=CN3C=CC2C=C1
InChIInChI=1S/C13H11N/c1-2-6-12-11(5-1)8-10-14-9-4-3-7-13(12)14/h1-11H
InChIKeyVSYHVPUUTAWQEI-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7aH-benzo[a]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 7aH-benzo[a]quinolizine?
The IUPAC name of 7aH-benzo[a]quinolizine (CID 57313595) is 7aH-benzo[a]quinolizine.
What is the SMILES notation for 7aH-benzo[a]quinolizine?
The canonical SMILES for 7aH-benzo[a]quinolizine is C1=CC2=C3C=CC=CN3C=CC2C=C1.
What is the InChIKey of 7aH-benzo[a]quinolizine?
The InChIKey is VSYHVPUUTAWQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-2-6-12-11(5-1)8-10-14-9-4-3-7-13(12)14/h1-11H.
What are the key properties of 7aH-benzo[a]quinolizine?
7aH-benzo[a]quinolizine has a molecular weight of 181.24 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7aH-benzo[a]quinolizine is sourced from PubChem (CID 57313595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).