5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C16H18N2OS — CID 81107570

IUPAC5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCSc1ccccc1NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C16H18N2OS/c1-20-15-8-3-2-5-14(15)17-12-6-4-7-13-11(12)9-10-16(19)18-13/h2-3,5,8-10,12,17H,4,6-7H2,1H3,(H,18,19)
InChIKeyDRCACWBFMIFFFY-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.59
Rot. Bonds3

About 5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81107570) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81107570
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCSc1ccccc1NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C16H18N2OS/c1-20-15-8-3-2-5-14(15)17-12-6-4-7-13-11(12)9-10-16(19)18-13/h2-3,5,8-10,12,17H,4,6-7H2,1H3,(H,18,19)
InChIKeyDRCACWBFMIFFFY-UHFFFAOYSA-N
XLogP3.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-fluoro-2-methylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108124
(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 89053172
5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113349035
5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 22890957
5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107836
5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108121
5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81109436
4-chloro-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzonitrile
CID 81107877
3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid
CID 81107427
1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione
CID 81108587
4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide
CID 81108990
4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065951

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81107570) is 5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is CSc1ccccc1NC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is DRCACWBFMIFFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-20-15-8-3-2-5-14(15)17-12-6-4-7-13-11(12)9-10-16(19)18-13/h2-3,5,8-10,12,17H,4,6-7H2,1H3,(H,18,19).
What are the key properties of 5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 286.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81107570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).