6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one

C17H19NO2S — CID 82174207

IUPAC6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1cc2c(c(C(O)Cc3cccs3)c1)NC(=O)CC2
InChIInChI=1S/C17H19NO2S/c1-2-11-8-12-5-6-16(20)18-17(12)14(9-11)15(19)10-13-4-3-7-21-13/h3-4,7-9,15,19H,2,5-6,10H2,1H3,(H,18,20)
InChIKeyYORMDCWPTWIYJC-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.47
Rot. Bonds4

About 6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one

6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82174207) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID82174207
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1cc2c(c(C(O)Cc3cccs3)c1)NC(=O)CC2
InChIInChI=1S/C17H19NO2S/c1-2-11-8-12-5-6-16(20)18-17(12)14(9-11)15(19)10-13-4-3-7-21-13/h3-4,7-9,15,19H,2,5-6,10H2,1H3,(H,18,20)
InChIKeyYORMDCWPTWIYJC-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82174336
7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one
CID 82173542
6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174296
7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one
CID 82172971
1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 94152809
8-ethyl-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174002
N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 79491740
5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 82172714
6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174297
N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103126
7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174111
1-(2-fluorophenyl)-2-thiophen-2-ylethanol
CID 62501519

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one (CID 82174207) is 6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one is CCc1cc2c(c(C(O)Cc3cccs3)c1)NC(=O)CC2.
What is the InChIKey of 6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YORMDCWPTWIYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-11-8-12-5-6-16(20)18-17(12)14(9-11)15(19)10-13-4-3-7-21-13/h3-4,7-9,15,19H,2,5-6,10H2,1H3,(H,18,20).
What are the key properties of 6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one?
6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 301.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82174207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).