1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone

C15H16N2OS — CID 975656

IUPAC1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone
SMILESO=C(CSc1cccc2cccnc12)N1CCCC1
InChIInChI=1S/C15H16N2OS/c18-14(17-9-1-2-10-17)11-19-13-7-3-5-12-6-4-8-16-15(12)13/h3-8H,1-2,9-11H2
InChIKeyRQGNWRSISVFFMW-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.95
Rot. Bonds3

About 1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone

1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone (PubChem CID 975656) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone
PubChem CID975656
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone
SMILESO=C(CSc1cccc2cccnc12)N1CCCC1
InChIInChI=1S/C15H16N2OS/c18-14(17-9-1-2-10-17)11-19-13-7-3-5-12-6-4-8-16-15(12)13/h3-8H,1-2,9-11H2
InChIKeyRQGNWRSISVFFMW-UHFFFAOYSA-N
XLogP2.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone (CID 975656) is 1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone is O=C(CSc1cccc2cccnc12)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone?
The InChIKey is RQGNWRSISVFFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-14(17-9-1-2-10-17)11-19-13-7-3-5-12-6-4-8-16-15(12)13/h3-8H,1-2,9-11H2.
What are the key properties of 1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone?
1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone has a molecular weight of 272.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone is sourced from PubChem (CID 975656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).