7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one

C16H16N2O2S — CID 63649473

IUPAC7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCSc1ccc(Oc2cc3c(cc2N)NC(=O)CC3)cc1
InChIInChI=1S/C16H16N2O2S/c1-21-12-5-3-11(4-6-12)20-15-8-10-2-7-16(19)18-14(10)9-13(15)17/h3-6,8-9H,2,7,17H2,1H3,(H,18,19)
InChIKeyIBYQBMLVRZSYIU-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.67
Rot. Bonds3

About 7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one

7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 63649473) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID63649473
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCSc1ccc(Oc2cc3c(cc2N)NC(=O)CC3)cc1
InChIInChI=1S/C16H16N2O2S/c1-21-12-5-3-11(4-6-12)20-15-8-10-2-7-16(19)18-14(10)9-13(15)17/h3-6,8-9H,2,7,17H2,1H3,(H,18,19)
InChIKeyIBYQBMLVRZSYIU-UHFFFAOYSA-N
XLogP3.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 63649793
7-amino-6-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449952
6-amino-7-(4-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455675
6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455658
7-amino-6-(3-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449965
7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449941
3-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
CID 43449983
7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 116800289
6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 107655515
6-amino-7-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455648
7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449981
7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43382899

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one (CID 63649473) is 7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one is CSc1ccc(Oc2cc3c(cc2N)NC(=O)CC3)cc1.
What is the InChIKey of 7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IBYQBMLVRZSYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-21-12-5-3-11(4-6-12)20-15-8-10-2-7-16(19)18-14(10)9-13(15)17/h3-6,8-9H,2,7,17H2,1H3,(H,18,19).
What are the key properties of 7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 300.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 63649473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).