6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

C16H15NO3S — CID 43799666

IUPAC6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(C(=O)COc2ccc3c(c2)CCC(=O)N3)s1
InChIInChI=1S/C16H15NO3S/c1-10-2-6-15(21-10)14(18)9-20-12-4-5-13-11(8-12)3-7-16(19)17-13/h2,4-6,8H,3,7,9H2,1H3,(H,17,19)
InChIKeyWEQINVYMBOJKLL-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.20
Rot. Bonds4

About 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43799666) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43799666
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(C(=O)COc2ccc3c(c2)CCC(=O)N3)s1
InChIInChI=1S/C16H15NO3S/c1-10-2-6-15(21-10)14(18)9-20-12-4-5-13-11(8-12)3-7-16(19)17-13/h2,4-6,8H,3,7,9H2,1H3,(H,17,19)
InChIKeyWEQINVYMBOJKLL-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 43799668
6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 62034019
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612207
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058
N-(1-adamantyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 24650546
6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 167855339
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3,4-dimethylphenoxy)acetate
CID 55366724
2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 60659687
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 43799666) is 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(C(=O)COc2ccc3c(c2)CCC(=O)N3)s1.
What is the InChIKey of 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WEQINVYMBOJKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-10-2-6-15(21-10)14(18)9-20-12-4-5-13-11(8-12)3-7-16(19)17-13/h2,4-6,8H,3,7,9H2,1H3,(H,17,19).
What are the key properties of 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 301.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43799666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).