1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone

C15H9Cl2NO2S — CID 103045237

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone
SMILESO=C(COc1cccc2ncccc12)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H9Cl2NO2S/c16-14-7-10(15(17)21-14)12(19)8-20-13-5-1-4-11-9(13)3-2-6-18-11/h1-7H,8H2
InChIKeyQBBJTUALRXWQIF-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.86
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone

1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone (PubChem CID 103045237) has the molecular formula C15H9Cl2NO2S and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone
PubChem CID103045237
Molecular FormulaC15H9Cl2NO2S
Molecular Weight338.22 g/mol
Exact Mass336.97
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone
SMILESO=C(COc1cccc2ncccc12)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H9Cl2NO2S/c16-14-7-10(15(17)21-14)12(19)8-20-13-5-1-4-11-9(13)3-2-6-18-11/h1-7H,8H2
InChIKeyQBBJTUALRXWQIF-UHFFFAOYSA-N
XLogP4.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone
CID 43220079
1-(2,5-dichlorothiophen-3-yl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60652429
1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612904
2-quinolin-5-yloxyacetaldehyde
CID 103045247
1-(oxolan-3-yl)-2-quinolin-5-yloxyethanone
CID 103045216
2-(2-methoxyethoxy)-1-quinolin-5-ylethanone
CID 114032521
1-(2,5-dichlorothiophen-3-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60652315
1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide
CID 173164108
5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline
CID 103044604
2-(2,5-dichlorophenoxy)-N-quinolin-5-ylacetamide
CID 46664559
1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone
CID 103044837
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone (CID 103045237) is 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone is O=C(COc1cccc2ncccc12)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone?
The InChIKey is QBBJTUALRXWQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2S/c16-14-7-10(15(17)21-14)12(19)8-20-13-5-1-4-11-9(13)3-2-6-18-11/h1-7H,8H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone?
1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone has a molecular weight of 338.22 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-5-yloxyethanone is sourced from PubChem (CID 103045237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).