6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one

C14H19N3O3S — CID 43648549

IUPAC6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(c1cc2c(cc1N)CCC(=O)N2)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19N3O3S/c1-17(10-4-5-21(19,20)8-10)13-7-12-9(6-11(13)15)2-3-14(18)16-12/h6-7,10H,2-5,8,15H2,1H3,(H,16,18)
InChIKeyUVDFRXKLWAWUPE-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.78
Rot. Bonds2

About 6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one

6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43648549) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43648549
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(c1cc2c(cc1N)CCC(=O)N2)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19N3O3S/c1-17(10-4-5-21(19,20)8-10)13-7-12-9(6-11(13)15)2-3-14(18)16-12/h6-7,10H,2-5,8,15H2,1H3,(H,16,18)
InChIKeyUVDFRXKLWAWUPE-UHFFFAOYSA-N
XLogP0.78
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one 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

7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43449739
6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43455627
1-N-(1,1-dioxothiolan-3-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 43648562
1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 43648523
4-bromo-2-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 116735561
6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43455612
6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43383607
1-N-(1,1-dioxothiolan-3-yl)-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
CID 63599419
7-amino-6-[(1,1-dioxothian-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63923886
6-amino-7-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 63014635
ethyl 4-amino-3-[(1,1-dioxothiolan-3-yl)-methylamino]benzoate
CID 82777787
N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinolin-8-amine
CID 81215580

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 43648549) is 6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one is CN(c1cc2c(cc1N)CCC(=O)N2)C1CCS(=O)(=O)C1.
What is the InChIKey of 6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UVDFRXKLWAWUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-17(10-4-5-21(19,20)8-10)13-7-12-9(6-11(13)15)2-3-14(18)16-12/h6-7,10H,2-5,8,15H2,1H3,(H,16,18).
What are the key properties of 6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 309.39 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[(1,1-dioxothiolan-3-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43648549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).