1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone

C13H15NO3S — CID 16639782

IUPAC1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone
SMILESCC(=O)N1CCCc2c1ccc1c2S(=O)(=O)CC1
InChIInChI=1S/C13H15NO3S/c1-9(15)14-7-2-3-11-12(14)5-4-10-6-8-18(16,17)13(10)11/h4-5H,2-3,6-8H2,1H3
InChIKeyCXMKSEOYHVVXPQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.32
Rot. Bonds

About 1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone

1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone (PubChem CID 16639782) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone.

Molecular Properties

Compound Name1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone
PubChem CID16639782
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone
SMILESCC(=O)N1CCCc2c1ccc1c2S(=O)(=O)CC1
InChIInChI=1S/C13H15NO3S/c1-9(15)14-7-2-3-11-12(14)5-4-10-6-8-18(16,17)13(10)11/h4-5H,2-3,6-8H2,1H3
InChIKeyCXMKSEOYHVVXPQ-UHFFFAOYSA-N
XLogP1.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone with MolForge

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82506712
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
1-[5-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]ethanone
CID 126781800
2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
CID 20618502
1-[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 91584426
1-(6-hydroxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 14338804
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(methylamino)ethanone
CID 82118496
1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone
CID 117362996
1-[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82254868
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone?
The IUPAC name of 1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone (CID 16639782) is 1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone.
What is the SMILES notation for 1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone?
The canonical SMILES for 1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone is CC(=O)N1CCCc2c1ccc1c2S(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone?
The InChIKey is CXMKSEOYHVVXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-9(15)14-7-2-3-11-12(14)5-4-10-6-8-18(16,17)13(10)11/h4-5H,2-3,6-8H2,1H3.
What are the key properties of 1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone?
1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone has a molecular weight of 265.33 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-3,7,8,9-tetrahydro-2H-thieno[2,3-f]quinolin-6-yl)ethanone is sourced from PubChem (CID 16639782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).