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

C16H13NO2S — CID 107314229

IUPAC1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone
SMILESCc1ccc(C(=O)COc2ccc3cccnc3c2)s1
InChIInChI=1S/C16H13NO2S/c1-11-4-7-16(20-11)15(18)10-19-13-6-5-12-3-2-8-17-14(12)9-13/h2-9H,10H2,1H3
InChIKeyJTUYBEJEGHRZEN-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.87
Rot. Bonds4

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

1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone (PubChem CID 107314229) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone
PubChem CID107314229
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone
SMILESCc1ccc(C(=O)COc2ccc3cccnc3c2)s1
InChIInChI=1S/C16H13NO2S/c1-11-4-7-16(20-11)15(18)10-19-13-6-5-12-3-2-8-17-14(12)9-13/h2-9H,10H2,1H3
InChIKeyJTUYBEJEGHRZEN-UHFFFAOYSA-N
XLogP3.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone
CID 107314235
2-(3-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612220
2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612207
ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate
CID 107313075
2-quinolin-7-yloxyacetohydrazide
CID 107315402
1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone
CID 43612371
N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine
CID 107315206
2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone
CID 64601849
6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 43799666
1-piperazin-1-yl-2-quinolin-7-yloxyethanone
CID 107313752
quinolin-7-yl N,N-dimethylcarbamate
CID 11218314
2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 113223306

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone?
The IUPAC name of 1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone (CID 107314229) is 1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone is Cc1ccc(C(=O)COc2ccc3cccnc3c2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone?
The InChIKey is JTUYBEJEGHRZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-11-4-7-16(20-11)15(18)10-19-13-6-5-12-3-2-8-17-14(12)9-13/h2-9H,10H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone?
1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone has a molecular weight of 283.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone is sourced from PubChem (CID 107314229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).