3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride

C17H17ClN2 — CID 138397065

IUPAC3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride
SMILESCCC1=CN2CCC3=c4ccccc4=NC3=C2C=C1.Cl
InChIInChI=1S/C17H16N2.ClH/c1-2-12-7-8-16-17-14(9-10-19(16)11-12)13-5-3-4-6-15(13)18-17;/h3-8,11H,2,9-10H2,1H3;1H
InChIKeyIYKGVISQUYYIKI-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.67
Rot. Bonds1

About 3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride

3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride (PubChem CID 138397065) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride.

Molecular Properties

Compound Name3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride
PubChem CID138397065
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride
SMILESCCC1=CN2CCC3=c4ccccc4=NC3=C2C=C1.Cl
InChIInChI=1S/C17H16N2.ClH/c1-2-12-7-8-16-17-14(9-10-19(16)11-12)13-5-3-4-6-15(13)18-17;/h3-8,11H,2,9-10H2,1H3;1H
InChIKeyIYKGVISQUYYIKI-UHFFFAOYSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride?
The IUPAC name of 3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride (CID 138397065) is 3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride.
What is the SMILES notation for 3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride?
The canonical SMILES for 3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride is CCC1=CN2CCC3=c4ccccc4=NC3=C2C=C1.Cl.
What is the InChIKey of 3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride?
The InChIKey is IYKGVISQUYYIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2.ClH/c1-2-12-7-8-16-17-14(9-10-19(16)11-12)13-5-3-4-6-15(13)18-17;/h3-8,11H,2,9-10H2,1H3;1H.
What are the key properties of 3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride?
3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,7-dihydroindolo[2,3-a]quinolizine;hydrochloride is sourced from PubChem (CID 138397065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).