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

C17H15NO2S — CID 2801269

IUPAC6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)CSc3ccccc3)ccc2N1
InChIInChI=1S/C17H15NO2S/c19-16(11-21-14-4-2-1-3-5-14)13-6-8-15-12(10-13)7-9-17(20)18-15/h1-6,8,10H,7,9,11H2,(H,18,20)
InChIKeyRWBITCHZPCMXCB-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.55
Rot. Bonds4

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

6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2801269) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID2801269
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)CSc3ccccc3)ccc2N1
InChIInChI=1S/C17H15NO2S/c19-16(11-21-14-4-2-1-3-5-14)13-6-8-15-12(10-13)7-9-17(20)18-15/h1-6,8,10H,7,9,11H2,(H,18,20)
InChIKeyRWBITCHZPCMXCB-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 9456238
5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one
CID 137349604
6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 17447988
2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid
CID 82485450
6-[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 71939820
6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 116833046
6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 51318362
6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70502328
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592
6-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one
CID 14207317
6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120821

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one (CID 2801269) is 6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)CSc3ccccc3)ccc2N1.
What is the InChIKey of 6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RWBITCHZPCMXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c19-16(11-21-14-4-2-1-3-5-14)13-6-8-15-12(10-13)7-9-17(20)18-15/h1-6,8,10H,7,9,11H2,(H,18,20).
What are the key properties of 6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one?
6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 297.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2801269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).