4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine

C15H16N2 — CID 18963254

IUPAC4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine
SMILESC1=CCN2CCC3c4ccccc4NC3C2=C1
InChIInChI=1S/C15H16N2/c1-2-6-13-11(5-1)12-8-10-17-9-4-3-7-14(17)15(12)16-13/h1-7,12,15-16H,8-10H2
InChIKeyHHPMEEHMTVIODN-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.72
Rot. Bonds

About 4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine

4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine (PubChem CID 18963254) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine.

Molecular Properties

Compound Name4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine
PubChem CID18963254
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine
SMILESC1=CCN2CCC3c4ccccc4NC3C2=C1
InChIInChI=1S/C15H16N2/c1-2-6-13-11(5-1)12-8-10-17-9-4-3-7-14(17)15(12)16-13/h1-7,12,15-16H,8-10H2
InChIKeyHHPMEEHMTVIODN-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine?
The IUPAC name of 4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine (CID 18963254) is 4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine.
What is the SMILES notation for 4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine?
The canonical SMILES for 4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine is C1=CCN2CCC3c4ccccc4NC3C2=C1.
What is the InChIKey of 4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine?
The InChIKey is HHPMEEHMTVIODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-2-6-13-11(5-1)12-8-10-17-9-4-3-7-14(17)15(12)16-13/h1-7,12,15-16H,8-10H2.
What are the key properties of 4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine?
4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine has a molecular weight of 224.31 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7,7a,12,12a-hexahydroindolo[2,3-a]quinolizine is sourced from PubChem (CID 18963254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).