6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C16H15NO2S — CID 79985526

IUPAC6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1ccsc1C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H15NO2S/c1-2-10-7-8-20-16(10)15(19)12-3-5-13-11(9-12)4-6-14(18)17-13/h3,5,7-9H,2,4,6H2,1H3,(H,17,18)
InChIKeyYGMGQBCSNGNMLB-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.43
Rot. Bonds3

About 6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one

6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 79985526) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID79985526
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1ccsc1C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H15NO2S/c1-2-10-7-8-20-16(10)15(19)12-3-5-13-11(9-12)4-6-14(18)17-13/h3,5,7-9H,2,4,6H2,1H3,(H,17,18)
InChIKeyYGMGQBCSNGNMLB-UHFFFAOYSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 79985362
6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 81126938
5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 43462953
6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107979594
(3-ethylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79985945
N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103126
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 82984767
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
6-(2,6-dichlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160665
6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107949673

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 79985526) is 6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one is CCc1ccsc1C(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YGMGQBCSNGNMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-2-10-7-8-20-16(10)15(19)12-3-5-13-11(9-12)4-6-14(18)17-13/h3,5,7-9H,2,4,6H2,1H3,(H,17,18).
What are the key properties of 6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 285.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 79985526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).