1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone

C15H15NO3S — CID 64906632

IUPAC1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H15NO3S/c17-15(12-7-8-20(18,19)10-12)9-13-6-5-11-3-1-2-4-14(11)16-13/h1-6,12H,7-10H2
InChIKeyQCPFNACKFCFXEL-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.78
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone

1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone (PubChem CID 64906632) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone
PubChem CID64906632
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H15NO3S/c17-15(12-7-8-20(18,19)10-12)9-13-6-5-11-3-1-2-4-14(11)16-13/h1-6,12H,7-10H2
InChIKeyQCPFNACKFCFXEL-UHFFFAOYSA-N
XLogP1.78
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 51598738
N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 75682393
1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone
CID 116584736
1-quinolin-2-ylbut-3-en-2-one
CID 103453640
1-(1,1-dioxothiolan-3-yl)-2-(4-iodophenyl)ethanone
CID 115336298
2-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanone
CID 64904345
N-cyclohexyl-2-quinolin-2-ylacetamide
CID 110464171
1-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)ethanone
CID 64904976
1,2-di(quinolin-2-yl)ethanone
CID 24973307
1-cyclopropyl-2-quinoxalin-2-ylethanone
CID 63355169
3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one
CID 116558652
N-[(3R)-1,1-dioxothiolan-3-yl]-2-quinolin-2-ylsulfanylacetamide
CID 40551032

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone (CID 64906632) is 1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone is O=C(Cc1ccc2ccccc2n1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone?
The InChIKey is QCPFNACKFCFXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-15(12-7-8-20(18,19)10-12)9-13-6-5-11-3-1-2-4-14(11)16-13/h1-6,12H,7-10H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone?
1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone has a molecular weight of 289.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone is sourced from PubChem (CID 64906632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).