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

C13H14N2 — CID 91478953

IUPAC6,11,11a,11b-tetrahydrobenzo[a]quinolizin-7-imine
SMILES[H]/N=C1\CN2C=CC=CC2C2CC=CC=C12
InChIInChI=1S/C13H14N2/c14-12-9-15-8-4-3-7-13(15)11-6-2-1-5-10(11)12/h1-5,7-8,11,13-14H,6,9H2/b14-12+
InChIKeyFLEZNOQOPPYNLV-WYMLVPIESA-N
MW198.27 g/mol
LogP2.28
Rot. Bonds

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

6,11,11a,11b-tetrahydrobenzo[a]quinolizin-7-imine (PubChem CID 91478953) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 6,11,11a,11b-tetrahydrobenzo[a]quinolizin-7-imine.

Molecular Properties

Compound Name6,11,11a,11b-tetrahydrobenzo[a]quinolizin-7-imine
PubChem CID91478953
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name6,11,11a,11b-tetrahydrobenzo[a]quinolizin-7-imine
SMILES[H]/N=C1\CN2C=CC=CC2C2CC=CC=C12
InChIInChI=1S/C13H14N2/c14-12-9-15-8-4-3-7-13(15)11-6-2-1-5-10(11)12/h1-5,7-8,11,13-14H,6,9H2/b14-12+
InChIKeyFLEZNOQOPPYNLV-WYMLVPIESA-N
XLogP2.28
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.28
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

10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline
CID 57305163
1-Methyl-4a,8a-dihydroquinolin-4-imine
CID 163905803

Frequently Asked Questions

What is the IUPAC name of 6,11,11a,11b-tetrahydrobenzo[a]quinolizin-7-imine?
The IUPAC name of 6,11,11a,11b-tetrahydrobenzo[a]quinolizin-7-imine (CID 91478953) is 6,11,11a,11b-tetrahydrobenzo[a]quinolizin-7-imine.
What is the SMILES notation for 6,11,11a,11b-tetrahydrobenzo[a]quinolizin-7-imine?
The canonical SMILES for 6,11,11a,11b-tetrahydrobenzo[a]quinolizin-7-imine is [H]/N=C1\CN2C=CC=CC2C2CC=CC=C12.
What is the InChIKey of 6,11,11a,11b-tetrahydrobenzo[a]quinolizin-7-imine?
The InChIKey is FLEZNOQOPPYNLV-WYMLVPIESA-N. The full InChI is InChI=1S/C13H14N2/c14-12-9-15-8-4-3-7-13(15)11-6-2-1-5-10(11)12/h1-5,7-8,11,13-14H,6,9H2/b14-12+.
What are the key properties of 6,11,11a,11b-tetrahydrobenzo[a]quinolizin-7-imine?
6,11,11a,11b-tetrahydrobenzo[a]quinolizin-7-imine has a molecular weight of 198.27 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11,11a,11b-tetrahydrobenzo[a]quinolizin-7-imine is sourced from PubChem (CID 91478953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).