(1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone

C15H15NO3S — CID 115336329

IUPAC(1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CCS(=O)(=O)C3)ccc2n1
InChIInChI=1S/C15H15NO3S/c1-10-2-3-11-8-12(4-5-14(11)16-10)15(17)13-6-7-20(18,19)9-13/h2-5,8,13H,6-7,9H2,1H3
InChIKeyOZAVEFLLIZWTEJ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.16
Rot. Bonds2

About (1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone

(1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone (PubChem CID 115336329) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone
PubChem CID115336329
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name(1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CCS(=O)(=O)C3)ccc2n1
InChIInChI=1S/C15H15NO3S/c1-10-2-3-11-8-12(4-5-14(11)16-10)15(17)13-6-7-20(18,19)9-13/h2-5,8,13H,6-7,9H2,1H3
InChIKeyOZAVEFLLIZWTEJ-UHFFFAOYSA-N
XLogP2.16
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
CID 116592386
(3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone
CID 116568855
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone
CID 171948645
(1,1-dioxothiolan-3-yl)-(3-fluoro-5-methylphenyl)methanone
CID 115336304
(2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone
CID 116595188
(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 81216684
propan-2-yl 2-methylquinoline-6-carboxylate
CID 67977912
2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone
CID 103168015
[5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone
CID 116589142
2-hydroxy-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one
CID 103446086
(4-amino-3-chlorophenyl)-(1,1-dioxothiolan-3-yl)methanone
CID 64906044
(4-iodophenyl)-(2-methylquinolin-6-yl)methanone
CID 115790394

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone?
The IUPAC name of (1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone (CID 115336329) is (1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone is Cc1ccc2cc(C(=O)C3CCS(=O)(=O)C3)ccc2n1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone?
The InChIKey is OZAVEFLLIZWTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-10-2-3-11-8-12(4-5-14(11)16-10)15(17)13-6-7-20(18,19)9-13/h2-5,8,13H,6-7,9H2,1H3.
What are the key properties of (1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone?
(1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone has a molecular weight of 289.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 115336329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).