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

C20H24N2O3S — CID 69453417

IUPAC6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([C@@H](O)CN3CCC(c4cccs4)C(O)C3)ccc2N1
InChIInChI=1S/C20H24N2O3S/c23-17(14-3-5-16-13(10-14)4-6-20(25)21-16)11-22-8-7-15(18(24)12-22)19-2-1-9-26-19/h1-3,5,9-10,15,17-18,23-24H,4,6-8,11-12H2,(H,21,25)/t15?,17-,18?/m0/s1
InChIKeyWSKIAEGTKCEXQH-NXYGQSRBSA-N
MW372.49 g/mol
LogP2.52
Rot. Bonds4

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

6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 69453417) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID69453417
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([C@@H](O)CN3CCC(c4cccs4)C(O)C3)ccc2N1
InChIInChI=1S/C20H24N2O3S/c23-17(14-3-5-16-13(10-14)4-6-20(25)21-16)11-22-8-7-15(18(24)12-22)19-2-1-9-26-19/h1-3,5,9-10,15,17-18,23-24H,4,6-8,11-12H2,(H,21,25)/t15?,17-,18?/m0/s1
InChIKeyWSKIAEGTKCEXQH-NXYGQSRBSA-N
XLogP2.52
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 69453417) is 6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc([C@@H](O)CN3CCC(c4cccs4)C(O)C3)ccc2N1.
What is the InChIKey of 6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WSKIAEGTKCEXQH-NXYGQSRBSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-17(14-3-5-16-13(10-14)4-6-20(25)21-16)11-22-8-7-15(18(24)12-22)19-2-1-9-26-19/h1-3,5,9-10,15,17-18,23-24H,4,6-8,11-12H2,(H,21,25)/t15?,17-,18?/m0/s1.
What are the key properties of 6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 372.49 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 69453417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).