methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate

C20H25N4O2+ — CID 76699729

IUPACmethyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate
SMILESCOC(=O)C(=NN(C)c1ccc2c(c1)CCCN2C)c1cccc[n+]1C
InChIInChI=1S/C20H25N4O2/c1-22-13-7-8-15-14-16(10-11-17(15)22)24(3)21-19(20(25)26-4)18-9-5-6-12-23(18)2/h5-6,9-12,14H,7-8,13H2,1-4H3/q+1
InChIKeyZPOUBYNBQVFOHA-UHFFFAOYSA-N
MW353.45 g/mol
LogP1.91
Rot. Bonds4

About methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate

methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate (PubChem CID 76699729) has the molecular formula C20H25N4O2+ and a molecular weight of 353.45 g/mol. Its IUPAC name is methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate
PubChem CID76699729
Molecular FormulaC20H25N4O2+
Molecular Weight353.45 g/mol
Exact Mass353.20
IUPAC Namemethyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate
SMILESCOC(=O)C(=NN(C)c1ccc2c(c1)CCCN2C)c1cccc[n+]1C
InChIInChI=1S/C20H25N4O2/c1-22-13-7-8-15-14-16(10-11-17(15)22)24(3)21-19(20(25)26-4)18-9-5-6-12-23(18)2/h5-6,9-12,14H,7-8,13H2,1-4H3/q+1
InChIKeyZPOUBYNBQVFOHA-UHFFFAOYSA-N
XLogP1.91
TPSA49.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate 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

methyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate
CID 172971793
N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine
CID 76699887
fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 142338422
[(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium
CID 143565726
[(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium
CID 143569120
methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate
CID 82538053
methyl 3-methyl-7-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)octa-2,4,6-trienoate
CID 54007098
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 58575703
methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate
CID 110485913
N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
CID 16802064
N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine
CID 76699858

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate?
The IUPAC name of methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate (CID 76699729) is methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate.
What is the SMILES notation for methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate?
The canonical SMILES for methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate is COC(=O)C(=NN(C)c1ccc2c(c1)CCCN2C)c1cccc[n+]1C.
What is the InChIKey of methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate?
The InChIKey is ZPOUBYNBQVFOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N4O2/c1-22-13-7-8-15-14-16(10-11-17(15)22)24(3)21-19(20(25)26-4)18-9-5-6-12-23(18)2/h5-6,9-12,14H,7-8,13H2,1-4H3/q+1.
What are the key properties of methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate?
methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate has a molecular weight of 353.45 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate is sourced from PubChem (CID 76699729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).