6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline

C20H22N2S — CID 56673158

IUPAC6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline
SMILESCC1CCCN1CCc1ccc2nc(-c3cccs3)ccc2c1
InChIInChI=1S/C20H22N2S/c1-15-4-2-11-22(15)12-10-16-6-8-18-17(14-16)7-9-19(21-18)20-5-3-13-23-20/h3,5-9,13-15H,2,4,10-12H2,1H3
InChIKeyWCQVQORJCDHBCN-UHFFFAOYSA-N
MW322.48 g/mol
LogP4.99
Rot. Bonds4

About 6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline

6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline (PubChem CID 56673158) has the molecular formula C20H22N2S and a molecular weight of 322.48 g/mol. Its IUPAC name is 6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline.

Molecular Properties

Compound Name6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline
PubChem CID56673158
Molecular FormulaC20H22N2S
Molecular Weight322.48 g/mol
Exact Mass322.15
IUPAC Name6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline
SMILESCC1CCCN1CCc1ccc2nc(-c3cccs3)ccc2c1
InChIInChI=1S/C20H22N2S/c1-15-4-2-11-22(15)12-10-16-6-8-18-17(14-16)7-9-19(21-18)20-5-3-13-23-20/h3,5-9,13-15H,2,4,10-12H2,1H3
InChIKeyWCQVQORJCDHBCN-UHFFFAOYSA-N
XLogP4.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline?
The IUPAC name of 6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline (CID 56673158) is 6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline.
What is the SMILES notation for 6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline?
The canonical SMILES for 6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline is CC1CCCN1CCc1ccc2nc(-c3cccs3)ccc2c1.
What is the InChIKey of 6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline?
The InChIKey is WCQVQORJCDHBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2S/c1-15-4-2-11-22(15)12-10-16-6-8-18-17(14-16)7-9-19(21-18)20-5-3-13-23-20/h3,5-9,13-15H,2,4,10-12H2,1H3.
What are the key properties of 6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline?
6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline has a molecular weight of 322.48 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline is sourced from PubChem (CID 56673158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).