ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate

C19H20ClN3O2 — CID 6506652

IUPACethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate
SMILESCCOC(=O)/C(=N/Nc1ccccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C19H20ClN3O2/c1-2-25-19(24)18(22-21-16-11-5-4-10-15(16)20)23-13-7-9-14-8-3-6-12-17(14)23/h3-6,8,10-12,21H,2,7,9,13H2,1H3/b22-18-
InChIKeyUEMYOSIJECCIBS-PYCFMQQDSA-N
MW357.84 g/mol
LogP4.08
Rot. Bonds3

About ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate

ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate (PubChem CID 6506652) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate
PubChem CID6506652
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Nameethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate
SMILESCCOC(=O)/C(=N/Nc1ccccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C19H20ClN3O2/c1-2-25-19(24)18(22-21-16-11-5-4-10-15(16)20)23-13-7-9-14-8-3-6-12-17(14)23/h3-6,8,10-12,21H,2,7,9,13H2,1H3/b22-18-
InChIKeyUEMYOSIJECCIBS-PYCFMQQDSA-N
XLogP4.08
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]acetate
CID 7722061
ethyl 3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxylate
CID 10376695
ethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate
CID 2313909
(1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
CID 6878171
ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034988
1-butyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]guanidine
CID 111079017
N-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108962699
2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 2446276
ethyl 4-(3,4-dihydro-2H-quinoline-1-carbothioylamino)benzoate
CID 19686763
ethyl N-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate
CID 58794318
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-2-oxoacetamide
CID 108505707
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111079025

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate?
The IUPAC name of ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate (CID 6506652) is ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate.
What is the SMILES notation for ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate?
The canonical SMILES for ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate is CCOC(=O)/C(=N/Nc1ccccc1Cl)N1CCCc2ccccc21.
What is the InChIKey of ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate?
The InChIKey is UEMYOSIJECCIBS-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-2-25-19(24)18(22-21-16-11-5-4-10-15(16)20)23-13-7-9-14-8-3-6-12-17(14)23/h3-6,8,10-12,21H,2,7,9,13H2,1H3/b22-18-.
What are the key properties of ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate?
ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate has a molecular weight of 357.84 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate is sourced from PubChem (CID 6506652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).