4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one

C17H15NO2S — CID 6324316

IUPAC4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one
SMILESCOc1ccccc1SCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H15NO2S/c1-20-15-8-4-5-9-16(15)21-11-12-10-17(19)18-14-7-3-2-6-13(12)14/h2-10H,11H2,1H3,(H,18,19)
InChIKeyHHRZEXXDEQPHFC-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.83
Rot. Bonds4

About 4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one

4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one (PubChem CID 6324316) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one
PubChem CID6324316
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one
SMILESCOc1ccccc1SCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H15NO2S/c1-20-15-8-4-5-9-16(15)21-11-12-10-17(19)18-14-7-3-2-6-13(12)14/h2-10H,11H2,1H3,(H,18,19)
InChIKeyHHRZEXXDEQPHFC-UHFFFAOYSA-N
XLogP3.83
TPSA42.09 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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one?
The IUPAC name of 4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one (CID 6324316) is 4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one is COc1ccccc1SCc1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one?
The InChIKey is HHRZEXXDEQPHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-20-15-8-4-5-9-16(15)21-11-12-10-17(19)18-14-7-3-2-6-13(12)14/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of 4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one?
4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one has a molecular weight of 297.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one is sourced from PubChem (CID 6324316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).