1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone

C18H26N2O3S — CID 55437399

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone
SMILESCCCN(CC(=O)N1CCCc2ccccc21)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O3S/c1-2-10-19(16-9-12-24(22,23)14-16)13-18(21)20-11-5-7-15-6-3-4-8-17(15)20/h3-4,6,8,16H,2,5,7,9-14H2,1H3
InChIKeyNFMSHZCUGSGBHE-UHFFFAOYSA-N
MW350.48 g/mol
LogP1.86
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone (PubChem CID 55437399) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone
PubChem CID55437399
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone
SMILESCCCN(CC(=O)N1CCCc2ccccc21)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O3S/c1-2-10-19(16-9-12-24(22,23)14-16)13-18(21)20-11-5-7-15-6-3-4-8-17(15)20/h3-4,6,8,16H,2,5,7,9-14H2,1H3
InChIKeyNFMSHZCUGSGBHE-UHFFFAOYSA-N
XLogP1.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone with MolForge

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157998
1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 119932761
1-(2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 63304419
2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid
CID 60834511
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
N-butan-2-yl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113159104
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
N-(1,1-dioxothiolan-3-yl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 108989408
(Z)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]prop-2-enenitrile
CID 108834870
2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87015013
3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone
CID 110857121
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone (CID 55437399) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone is CCCN(CC(=O)N1CCCc2ccccc21)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone?
The InChIKey is NFMSHZCUGSGBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-2-10-19(16-9-12-24(22,23)14-16)13-18(21)20-11-5-7-15-6-3-4-8-17(15)20/h3-4,6,8,16H,2,5,7,9-14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone has a molecular weight of 350.48 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone is sourced from PubChem (CID 55437399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).