1,6-dihydrobenzo[a]quinolizin-2-imine

C13H12N2 — CID 91293056

IUPAC1,6-dihydrobenzo[a]quinolizin-2-imine
SMILES[H]/N=C1\C=CN2CC=c3ccccc3=C2C1
InChIInChI=1S/C13H12N2/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11/h1-6,8,14H,7,9H2/b14-11+
InChIKeyUJFMIIZYKDUBIK-SDNWHVSQSA-N
MW196.25 g/mol
LogP0.83
Rot. Bonds

About 1,6-dihydrobenzo[a]quinolizin-2-imine

1,6-dihydrobenzo[a]quinolizin-2-imine (PubChem CID 91293056) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1,6-dihydrobenzo[a]quinolizin-2-imine.

Molecular Properties

Compound Name1,6-dihydrobenzo[a]quinolizin-2-imine
PubChem CID91293056
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name1,6-dihydrobenzo[a]quinolizin-2-imine
SMILES[H]/N=C1\C=CN2CC=c3ccccc3=C2C1
InChIInChI=1S/C13H12N2/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11/h1-6,8,14H,7,9H2/b14-11+
InChIKeyUJFMIIZYKDUBIK-SDNWHVSQSA-N
XLogP0.83
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 66919674
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CID 138399966
1-Ethylpyrrolo[2,3-h]quinoline
CID 129782327
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CID 129782498
Tetrahydrobenzo[b]pyrrolo[2,1-f][1,6]naphthyridine
CID 129879895
2-Diethylamino-3h-acridine
CID 137346134
6-Vinylindoloquinoxaline
CID 177255998
6,7-Dihydroindolo[2,3-a]quinolizine--hydrogen chloride (1/1)
CID 138399183
6,7-Dihydroindolo[2,3-a]quinolizine
CID 85538892
5-Quinolinamine, 1-oxide
CID 12292892
3H-indolo[2,1-c][1,4]benzodiazepine
CID 20193932

Frequently Asked Questions

What is the IUPAC name of 1,6-dihydrobenzo[a]quinolizin-2-imine?
The IUPAC name of 1,6-dihydrobenzo[a]quinolizin-2-imine (CID 91293056) is 1,6-dihydrobenzo[a]quinolizin-2-imine.
What is the SMILES notation for 1,6-dihydrobenzo[a]quinolizin-2-imine?
The canonical SMILES for 1,6-dihydrobenzo[a]quinolizin-2-imine is [H]/N=C1\C=CN2CC=c3ccccc3=C2C1.
What is the InChIKey of 1,6-dihydrobenzo[a]quinolizin-2-imine?
The InChIKey is UJFMIIZYKDUBIK-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H12N2/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11/h1-6,8,14H,7,9H2/b14-11+.
What are the key properties of 1,6-dihydrobenzo[a]quinolizin-2-imine?
1,6-dihydrobenzo[a]quinolizin-2-imine has a molecular weight of 196.25 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydrobenzo[a]quinolizin-2-imine is sourced from PubChem (CID 91293056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).