2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline

C17H21N3 — CID 66207417

IUPAC2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline
SMILESCCC1C2CNCC2CN1c1ccc2ccccc2n1
InChIInChI=1S/C17H21N3/c1-2-16-14-10-18-9-13(14)11-20(16)17-8-7-12-5-3-4-6-15(12)19-17/h3-8,13-14,16,18H,2,9-11H2,1H3
InChIKeyGSCNQFPDFASYGD-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.67
Rot. Bonds2

About 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline

2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline (PubChem CID 66207417) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline.

Molecular Properties

Compound Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline
PubChem CID66207417
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline
SMILESCCC1C2CNCC2CN1c1ccc2ccccc2n1
InChIInChI=1S/C17H21N3/c1-2-16-14-10-18-9-13(14)11-20(16)17-8-7-12-5-3-4-6-15(12)19-17/h3-8,13-14,16,18H,2,9-11H2,1H3
InChIKeyGSCNQFPDFASYGD-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline?
The IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline (CID 66207417) is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline.
What is the SMILES notation for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline?
The canonical SMILES for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline is CCC1C2CNCC2CN1c1ccc2ccccc2n1.
What is the InChIKey of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline?
The InChIKey is GSCNQFPDFASYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-16-14-10-18-9-13(14)11-20(16)17-8-7-12-5-3-4-6-15(12)19-17/h3-8,13-14,16,18H,2,9-11H2,1H3.
What are the key properties of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline?
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline has a molecular weight of 267.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline is sourced from PubChem (CID 66207417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).