[(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium

C20H32N5O2+ — CID 143565726

IUPAC[(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium
SMILESCCOC(=O)/C(CN(C)/C=C\[NH2+]C)=N\N(C)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C20H31N5O2/c1-6-27-20(26)18(15-23(3)13-11-21-2)22-25(5)17-9-10-19-16(14-17)8-7-12-24(19)4/h9-11,13-14,21H,6-8,12,15H2,1-5H3/p+1/b13-11-,22-18-
InChIKeyUVIDGUVEDNYLPB-SGJAMGDOSA-O
MW374.51 g/mol
LogP1.02
Rot. Bonds8

About [(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium

[(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium (PubChem CID 143565726) has the molecular formula C20H32N5O2+ and a molecular weight of 374.51 g/mol. Its IUPAC name is [(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium.

Molecular Properties

Compound Name[(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium
PubChem CID143565726
Molecular FormulaC20H32N5O2+
Molecular Weight374.51 g/mol
Exact Mass374.26
IUPAC Name[(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium
SMILESCCOC(=O)/C(CN(C)/C=C\[NH2+]C)=N\N(C)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C20H31N5O2/c1-6-27-20(26)18(15-23(3)13-11-21-2)22-25(5)17-9-10-19-16(14-17)8-7-12-24(19)4/h9-11,13-14,21H,6-8,12,15H2,1-5H3/p+1/b13-11-,22-18-
InChIKeyUVIDGUVEDNYLPB-SGJAMGDOSA-O
XLogP1.02
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze [(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium with MolForge

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Launch Full Analysis

Related Compounds

ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate
CID 143565604
[(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-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate
CID 76699729
methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate
CID 82538053
ethyl (2Z)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate
CID 143565779
ethyl 2-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]acetate
CID 110485909
ethyl 2-amino-3-hydroxy-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propanoate
CID 115481721
ethyl 4-[N'-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164274
fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 142338422
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium?
The IUPAC name of [(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium (CID 143565726) is [(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium.
What is the SMILES notation for [(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium?
The canonical SMILES for [(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium is CCOC(=O)/C(CN(C)/C=C\[NH2+]C)=N\N(C)c1ccc2c(c1)CCCN2C.
What is the InChIKey of [(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium?
The InChIKey is UVIDGUVEDNYLPB-SGJAMGDOSA-O. The full InChI is InChI=1S/C20H31N5O2/c1-6-27-20(26)18(15-23(3)13-11-21-2)22-25(5)17-9-10-19-16(14-17)8-7-12-24(19)4/h9-11,13-14,21H,6-8,12,15H2,1-5H3/p+1/b13-11-,22-18-.
What are the key properties of [(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium?
[(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium has a molecular weight of 374.51 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium is sourced from PubChem (CID 143565726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).