7,11b-dihydrobenzo[a]quinolizin-6-imine

C13H12N2 — CID 91473556

IUPAC7,11b-dihydrobenzo[a]quinolizin-6-imine
SMILES[H]/N=C1\Cc2ccccc2C2C=CC=CN12
InChIInChI=1S/C13H12N2/c14-13-9-10-5-1-2-6-11(10)12-7-3-4-8-15(12)13/h1-8,12,14H,9H2/b14-13+
InChIKeyNEEOGQURPNZJLW-BUHFOSPRSA-N
MW196.25 g/mol
LogP2.65
Rot. Bonds

About 7,11b-dihydrobenzo[a]quinolizin-6-imine

7,11b-dihydrobenzo[a]quinolizin-6-imine (PubChem CID 91473556) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 7,11b-dihydrobenzo[a]quinolizin-6-imine.

Molecular Properties

Compound Name7,11b-dihydrobenzo[a]quinolizin-6-imine
PubChem CID91473556
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name7,11b-dihydrobenzo[a]quinolizin-6-imine
SMILES[H]/N=C1\Cc2ccccc2C2C=CC=CN12
InChIInChI=1S/C13H12N2/c14-13-9-10-5-1-2-6-11(10)12-7-3-4-8-15(12)13/h1-8,12,14H,9H2/b14-13+
InChIKeyNEEOGQURPNZJLW-BUHFOSPRSA-N
XLogP2.65
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,11b-dihydrobenzo[a]quinolizin-6-imine?
The IUPAC name of 7,11b-dihydrobenzo[a]quinolizin-6-imine (CID 91473556) is 7,11b-dihydrobenzo[a]quinolizin-6-imine.
What is the SMILES notation for 7,11b-dihydrobenzo[a]quinolizin-6-imine?
The canonical SMILES for 7,11b-dihydrobenzo[a]quinolizin-6-imine is [H]/N=C1\Cc2ccccc2C2C=CC=CN12.
What is the InChIKey of 7,11b-dihydrobenzo[a]quinolizin-6-imine?
The InChIKey is NEEOGQURPNZJLW-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H12N2/c14-13-9-10-5-1-2-6-11(10)12-7-3-4-8-15(12)13/h1-8,12,14H,9H2/b14-13+.
What are the key properties of 7,11b-dihydrobenzo[a]quinolizin-6-imine?
7,11b-dihydrobenzo[a]quinolizin-6-imine has a molecular weight of 196.25 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11b-dihydrobenzo[a]quinolizin-6-imine is sourced from PubChem (CID 91473556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).