1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile

C18H19N3 — CID 131712855

IUPAC1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile
SMILESCCC1(C#N)CCCN2CCC3=c4ccccc4=NC3=C21
InChIInChI=1S/C18H19N3/c1-2-18(12-19)9-5-10-21-11-8-14-13-6-3-4-7-15(13)20-16(14)17(18)21/h3-4,6-7H,2,5,8-11H2,1H3
InChIKeyVDVBKSPMEZGQPU-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.10
Rot. Bonds1

About 1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile

1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile (PubChem CID 131712855) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile.

Molecular Properties

Compound Name1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile
PubChem CID131712855
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile
SMILESCCC1(C#N)CCCN2CCC3=c4ccccc4=NC3=C21
InChIInChI=1S/C18H19N3/c1-2-18(12-19)9-5-10-21-11-8-14-13-6-3-4-7-15(13)20-16(14)17(18)21/h3-4,6-7H,2,5,8-11H2,1H3
InChIKeyVDVBKSPMEZGQPU-UHFFFAOYSA-N
XLogP2.10
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile?
The IUPAC name of 1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile (CID 131712855) is 1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile.
What is the SMILES notation for 1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile?
The canonical SMILES for 1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile is CCC1(C#N)CCCN2CCC3=c4ccccc4=NC3=C21.
What is the InChIKey of 1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile?
The InChIKey is VDVBKSPMEZGQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-18(12-19)9-5-10-21-11-8-14-13-6-3-4-7-15(13)20-16(14)17(18)21/h3-4,6-7H,2,5,8-11H2,1H3.
What are the key properties of 1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile?
1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile has a molecular weight of 277.37 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carbonitrile is sourced from PubChem (CID 131712855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).