6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one

C20H24N2O2S — CID 23160518

IUPAC6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCN3CCC(c4cccs4)C(O)C3)ccc2N1
InChIInChI=1S/C20H24N2O2S/c23-18-13-22(10-8-16(18)19-2-1-11-25-19)9-7-14-3-5-17-15(12-14)4-6-20(24)21-17/h1-3,5,11-12,16,18,23H,4,6-10,13H2,(H,21,24)
InChIKeyXNFJGCDRRGSOSU-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.03
Rot. Bonds4

About 6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 23160518) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID23160518
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCN3CCC(c4cccs4)C(O)C3)ccc2N1
InChIInChI=1S/C20H24N2O2S/c23-18-13-22(10-8-16(18)19-2-1-11-25-19)9-7-14-3-5-17-15(12-14)4-6-20(24)21-17/h1-3,5,11-12,16,18,23H,4,6-10,13H2,(H,21,24)
InChIKeyXNFJGCDRRGSOSU-UHFFFAOYSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 23160518) is 6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CCN3CCC(c4cccs4)C(O)C3)ccc2N1.
What is the InChIKey of 6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XNFJGCDRRGSOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-18-13-22(10-8-16(18)19-2-1-11-25-19)9-7-14-3-5-17-15(12-14)4-6-20(24)21-17/h1-3,5,11-12,16,18,23H,4,6-10,13H2,(H,21,24).
What are the key properties of 6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 356.49 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 23160518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).