1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone

C17H15NO2S — CID 107314235

IUPAC1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone
SMILESCCc1ccc(C(=O)COc2ccc3cccnc3c2)s1
InChIInChI=1S/C17H15NO2S/c1-2-14-7-8-17(21-14)16(19)11-20-13-6-5-12-4-3-9-18-15(12)10-13/h3-10H,2,11H2,1H3
InChIKeyJFNUMONZHXSDAL-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.12
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone

1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone (PubChem CID 107314235) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone
PubChem CID107314235
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone
SMILESCCc1ccc(C(=O)COc2ccc3cccnc3c2)s1
InChIInChI=1S/C17H15NO2S/c1-2-14-7-8-17(21-14)16(19)11-20-13-6-5-12-4-3-9-18-15(12)10-13/h3-10H,2,11H2,1H3
InChIKeyJFNUMONZHXSDAL-UHFFFAOYSA-N
XLogP4.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone
CID 107314229
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate
CID 107313075
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43612242
2-quinolin-7-yloxyacetohydrazide
CID 107315402
2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43799632
1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
CID 63567450
quinolin-7-yl N,N-diethylcarbamate
CID 11334036
2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide
CID 90580148
2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43222190
1-piperazin-1-yl-2-quinolin-7-yloxyethanone
CID 107313752
quinolin-7-yl N,N-dimethylcarbamate
CID 11218314

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone (CID 107314235) is 1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone is CCc1ccc(C(=O)COc2ccc3cccnc3c2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone?
The InChIKey is JFNUMONZHXSDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-2-14-7-8-17(21-14)16(19)11-20-13-6-5-12-4-3-9-18-15(12)10-13/h3-10H,2,11H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone?
1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone has a molecular weight of 297.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone is sourced from PubChem (CID 107314235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).