6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one

C11H14N2OS — CID 115223654

IUPAC6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2CCS
InChIInChI=1S/C11H14N2OS/c12-9-2-3-10-8(7-9)1-4-11(14)13(10)5-6-15/h2-3,7,15H,1,4-6,12H2
InChIKeyAQQNXTZBUVLGCS-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.48
Rot. Bonds2

About 6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one

6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one (PubChem CID 115223654) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
PubChem CID115223654
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2CCS
InChIInChI=1S/C11H14N2OS/c12-9-2-3-10-8(7-9)1-4-11(14)13(10)5-6-15/h2-3,7,15H,1,4-6,12H2
InChIKeyAQQNXTZBUVLGCS-UHFFFAOYSA-N
XLogP1.48
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
CID 53392260
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43446567
6-amino-1-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydroquinolin-2-one
CID 116615835
6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one
CID 79227394
6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one
CID 115256369
6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 114930164
6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one
CID 43446552
6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one
CID 125483451
2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile
CID 115254242
6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one
CID 61311449
5-amino-1-(sulfanylmethyl)-3H-indol-2-one
CID 115227602

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one (CID 115223654) is 6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one is Nc1ccc2c(c1)CCC(=O)N2CCS.
What is the InChIKey of 6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is AQQNXTZBUVLGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c12-9-2-3-10-8(7-9)1-4-11(14)13(10)5-6-15/h2-3,7,15H,1,4-6,12H2.
What are the key properties of 6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one?
6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 222.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115223654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).