8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline

C18H23N3 — CID 66209459

IUPAC8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline
SMILESCCC1C2CNCC2CN1Cc1cccc2cccnc12
InChIInChI=1S/C18H23N3/c1-2-17-16-10-19-9-15(16)12-21(17)11-14-6-3-5-13-7-4-8-20-18(13)14/h3-8,15-17,19H,2,9-12H2,1H3
InChIKeySGDNBSCDFMYOOR-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.66
Rot. Bonds3

About 8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline

8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline (PubChem CID 66209459) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline.

Molecular Properties

Compound Name8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline
PubChem CID66209459
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline
SMILESCCC1C2CNCC2CN1Cc1cccc2cccnc12
InChIInChI=1S/C18H23N3/c1-2-17-16-10-19-9-15(16)12-21(17)11-14-6-3-5-13-7-4-8-20-18(13)14/h3-8,15-17,19H,2,9-12H2,1H3
InChIKeySGDNBSCDFMYOOR-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline?
The IUPAC name of 8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline (CID 66209459) is 8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline.
What is the SMILES notation for 8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline?
The canonical SMILES for 8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline is CCC1C2CNCC2CN1Cc1cccc2cccnc12.
What is the InChIKey of 8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline?
The InChIKey is SGDNBSCDFMYOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-17-16-10-19-9-15(16)12-21(17)11-14-6-3-5-13-7-4-8-20-18(13)14/h3-8,15-17,19H,2,9-12H2,1H3.
What are the key properties of 8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline?
8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline has a molecular weight of 281.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline is sourced from PubChem (CID 66209459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).