3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone

C15H19NO3S — CID 110857121

IUPAC3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone
SMILESO=C(C1CCCS(=O)(=O)C1)N1CCCc2ccccc21
InChIInChI=1S/C15H19NO3S/c17-15(13-7-4-10-20(18,19)11-13)16-9-3-6-12-5-1-2-8-14(12)16/h1-2,5,8,13H,3-4,6-7,9-11H2
InChIKeyBBYHEWMBPFGLOQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.79
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone (PubChem CID 110857121) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone
PubChem CID110857121
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone
SMILESO=C(C1CCCS(=O)(=O)C1)N1CCCc2ccccc21
InChIInChI=1S/C15H19NO3S/c17-15(13-7-4-10-20(18,19)11-13)16-9-3-6-12-5-1-2-8-14(12)16/h1-2,5,8,13H,3-4,6-7,9-11H2
InChIKeyBBYHEWMBPFGLOQ-UHFFFAOYSA-N
XLogP1.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-quinolin-1-yl(oxan-3-yl)methanone
CID 71879683
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
(1,1-dioxothian-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863895
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897
3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[(3S)-1,1-dioxothiolan-3-yl]methanone
CID 95235125
1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47984287
3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone
CID 113006321
3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113006349
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 109150620
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 113006316
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone (CID 110857121) is 3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone is O=C(C1CCCS(=O)(=O)C1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone?
The InChIKey is BBYHEWMBPFGLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c17-15(13-7-4-10-20(18,19)11-13)16-9-3-6-12-5-1-2-8-14(12)16/h1-2,5,8,13H,3-4,6-7,9-11H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone has a molecular weight of 293.39 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone is sourced from PubChem (CID 110857121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).