6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-ylquinoline

C20H22N2S — CID 10426299

IUPAC6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-ylquinoline
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccsc3)ccc2c1
InChIInChI=1S/C20H22N2S/c1-15-3-2-10-22(15)11-8-16-4-6-19-17(13-16)5-7-20(21-19)18-9-12-23-14-18/h4-7,9,12-15H,2-3,8,10-11H2,1H3/t15-/m1/s1
InChIKeyVWVKTJUUIXCTMF-OAHLLOKOSA-N
MW322.48 g/mol
LogP4.99
Rot. Bonds4

About 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-ylquinoline

6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-ylquinoline (PubChem CID 10426299) has the molecular formula C20H22N2S and a molecular weight of 322.48 g/mol. Its IUPAC name is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-ylquinoline.

Molecular Properties

Compound Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-ylquinoline
PubChem CID10426299
Molecular FormulaC20H22N2S
Molecular Weight322.48 g/mol
Exact Mass322.15
IUPAC Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-ylquinoline
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccsc3)ccc2c1
InChIInChI=1S/C20H22N2S/c1-15-3-2-10-22(15)11-8-16-4-6-19-17(13-16)5-7-20(21-19)18-9-12-23-14-18/h4-7,9,12-15H,2-3,8,10-11H2,1H3/t15-/m1/s1
InChIKeyVWVKTJUUIXCTMF-OAHLLOKOSA-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-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-ylquinoline?
The IUPAC name of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-ylquinoline (CID 10426299) is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-ylquinoline.
What is the SMILES notation for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-ylquinoline?
The canonical SMILES for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-ylquinoline is C[C@@H]1CCCN1CCc1ccc2nc(-c3ccsc3)ccc2c1.
What is the InChIKey of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-ylquinoline?
The InChIKey is VWVKTJUUIXCTMF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2S/c1-15-3-2-10-22(15)11-8-16-4-6-19-17(13-16)5-7-20(21-19)18-9-12-23-14-18/h4-7,9,12-15H,2-3,8,10-11H2,1H3/t15-/m1/s1.
What are the key properties of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-ylquinoline?
6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-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-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-thiophen-3-ylquinoline is sourced from PubChem (CID 10426299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).