6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one

C20H23ClN2O2S — CID 23160541

IUPAC6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCN3CCC(O)(c4ccc(Cl)s4)CC3)ccc2N1
InChIInChI=1S/C20H23ClN2O2S/c21-18-5-4-17(26-18)20(25)8-11-23(12-9-20)10-7-14-1-3-16-15(13-14)2-6-19(24)22-16/h1,3-5,13,25H,2,6-12H2,(H,22,24)
InChIKeyCKPCUGQOAIJYGS-UHFFFAOYSA-N
MW390.94 g/mol
LogP3.81
Rot. Bonds4

About 6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 23160541) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is 6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID23160541
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC Name6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCN3CCC(O)(c4ccc(Cl)s4)CC3)ccc2N1
InChIInChI=1S/C20H23ClN2O2S/c21-18-5-4-17(26-18)20(25)8-11-23(12-9-20)10-7-14-1-3-16-15(13-14)2-6-19(24)22-16/h1,3-5,13,25H,2,6-12H2,(H,22,24)
InChIKeyCKPCUGQOAIJYGS-UHFFFAOYSA-N
XLogP3.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 96669721
6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120864
6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
CID 13084721
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 23160518
6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
CID 67770430
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride
CID 82488863
5-(2-morpholin-4-ylethyl)-1,3-dihydroindol-2-one
CID 10198779
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115120823
6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 22736934

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 23160541) is 6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CCN3CCC(O)(c4ccc(Cl)s4)CC3)ccc2N1.
What is the InChIKey of 6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CKPCUGQOAIJYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c21-18-5-4-17(26-18)20(25)8-11-23(12-9-20)10-7-14-1-3-16-15(13-14)2-6-19(24)22-16/h1,3-5,13,25H,2,6-12H2,(H,22,24).
What are the key properties of 6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 390.94 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 23160541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).