[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea

C13H17N3O2S — CID 169359260

IUPAC[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea
SMILESCOCC(=O)N1CCCc2ccc(NC(N)=S)cc21
InChIInChI=1S/C13H17N3O2S/c1-18-8-12(17)16-6-2-3-9-4-5-10(7-11(9)16)15-13(14)19/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15,19)
InChIKeyMXEIISZQCRICSK-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.27
Rot. Bonds3

About [1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea

[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea (PubChem CID 169359260) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is [1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea.

Molecular Properties

Compound Name[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea
PubChem CID169359260
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea
SMILESCOCC(=O)N1CCCc2ccc(NC(N)=S)cc21
InChIInChI=1S/C13H17N3O2S/c1-18-8-12(17)16-6-2-3-9-4-5-10(7-11(9)16)15-13(14)19/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15,19)
InChIKeyMXEIISZQCRICSK-UHFFFAOYSA-N
XLogP1.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea 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

2-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 16835177
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835196
2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 16835128
3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 71806499
5-[[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168540187
4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide
CID 43990298
(3S)-5-[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 97354721
4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990274
2,4-difluoro-N-[1-(2-methoxyacetyl)-2,3-dihydroindol-6-yl]benzamide
CID 142343952
4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 16834722
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)cyclopropanecarboxamide
CID 40829046

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea?
The IUPAC name of [1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea (CID 169359260) is [1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea.
What is the SMILES notation for [1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea?
The canonical SMILES for [1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea is COCC(=O)N1CCCc2ccc(NC(N)=S)cc21.
What is the InChIKey of [1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea?
The InChIKey is MXEIISZQCRICSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-18-8-12(17)16-6-2-3-9-4-5-10(7-11(9)16)15-13(14)19/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15,19).
What are the key properties of [1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea?
[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea has a molecular weight of 279.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea is sourced from PubChem (CID 169359260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).