ethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one

C18H21NO3S — CID 143985110

IUPACethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one
SMILESCC.COc1ccc(S(=O)N2CCC(=O)c3ccccc32)cc1
InChIInChI=1S/C16H15NO3S.C2H6/c1-20-12-6-8-13(9-7-12)21(19)17-11-10-16(18)14-4-2-3-5-15(14)17;1-2/h2-9H,10-11H2,1H3;1-2H3
InChIKeyVNPLAFFQCYLPOR-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.84
Rot. Bonds3

About ethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one

ethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one (PubChem CID 143985110) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is ethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Nameethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one
PubChem CID143985110
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Nameethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one
SMILESCC.COc1ccc(S(=O)N2CCC(=O)c3ccccc32)cc1
InChIInChI=1S/C16H15NO3S.C2H6/c1-20-12-6-8-13(9-7-12)21(19)17-11-10-16(18)14-4-2-3-5-15(14)17;1-2/h2-9H,10-11H2,1H3;1-2H3
InChIKeyVNPLAFFQCYLPOR-UHFFFAOYSA-N
XLogP3.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one?
The IUPAC name of ethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one (CID 143985110) is ethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for ethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for ethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one is CC.COc1ccc(S(=O)N2CCC(=O)c3ccccc32)cc1.
What is the InChIKey of ethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one?
The InChIKey is VNPLAFFQCYLPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S.C2H6/c1-20-12-6-8-13(9-7-12)21(19)17-11-10-16(18)14-4-2-3-5-15(14)17;1-2/h2-9H,10-11H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one?
ethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one has a molecular weight of 331.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methoxyphenyl)sulfinyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 143985110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).