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

C17H21N3 — CID 66211269

IUPAC2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline
SMILESCC1C2CNCC2CN1Cc1ccc2ccccc2n1
InChIInChI=1S/C17H21N3/c1-12-16-9-18-8-14(16)10-20(12)11-15-7-6-13-4-2-3-5-17(13)19-15/h2-7,12,14,16,18H,8-11H2,1H3
InChIKeyLRNVWUNAHKSQGW-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.27
Rot. Bonds2

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

2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline (PubChem CID 66211269) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline.

Molecular Properties

Compound Name2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline
PubChem CID66211269
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline
SMILESCC1C2CNCC2CN1Cc1ccc2ccccc2n1
InChIInChI=1S/C17H21N3/c1-12-16-9-18-8-14(16)10-20(12)11-15-7-6-13-4-2-3-5-17(13)19-15/h2-7,12,14,16,18H,8-11H2,1H3
InChIKeyLRNVWUNAHKSQGW-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline?
The IUPAC name of 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline (CID 66211269) is 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline.
What is the SMILES notation for 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline?
The canonical SMILES for 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline is CC1C2CNCC2CN1Cc1ccc2ccccc2n1.
What is the InChIKey of 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline?
The InChIKey is LRNVWUNAHKSQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-16-9-18-8-14(16)10-20(12)11-15-7-6-13-4-2-3-5-17(13)19-15/h2-7,12,14,16,18H,8-11H2,1H3.
What are the key properties of 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline?
2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline has a molecular weight of 267.38 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline is sourced from PubChem (CID 66211269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).