diethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate

C18H21N3O5 — CID 155926980

IUPACdiethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate
SMILESCCOC(=O)C/C(=N\Nc1cc(=O)[nH]c2ccc(C)cc12)C(=O)OCC
InChIInChI=1S/C18H21N3O5/c1-4-25-17(23)10-15(18(24)26-5-2)21-20-14-9-16(22)19-13-7-6-11(3)8-12(13)14/h6-9H,4-5,10H2,1-3H3,(H2,19,20,22)/b21-15+
InChIKeyWRQAPLKFTSNOLE-RCCKNPSSSA-N
MW359.38 g/mol
LogP2.12
Rot. Bonds7

About diethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate

diethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate (PubChem CID 155926980) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is diethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate.

Molecular Properties

Compound Namediethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate
PubChem CID155926980
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Namediethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate
SMILESCCOC(=O)C/C(=N\Nc1cc(=O)[nH]c2ccc(C)cc12)C(=O)OCC
InChIInChI=1S/C18H21N3O5/c1-4-25-17(23)10-15(18(24)26-5-2)21-20-14-9-16(22)19-13-7-6-11(3)8-12(13)14/h6-9H,4-5,10H2,1-3H3,(H2,19,20,22)/b21-15+
InChIKeyWRQAPLKFTSNOLE-RCCKNPSSSA-N
XLogP2.12
TPSA109.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze diethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate?
The IUPAC name of diethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate (CID 155926980) is diethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate.
What is the SMILES notation for diethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate?
The canonical SMILES for diethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate is CCOC(=O)C/C(=N\Nc1cc(=O)[nH]c2ccc(C)cc12)C(=O)OCC.
What is the InChIKey of diethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate?
The InChIKey is WRQAPLKFTSNOLE-RCCKNPSSSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-4-25-17(23)10-15(18(24)26-5-2)21-20-14-9-16(22)19-13-7-6-11(3)8-12(13)14/h6-9H,4-5,10H2,1-3H3,(H2,19,20,22)/b21-15+.
What are the key properties of diethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate?
diethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate has a molecular weight of 359.38 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate is sourced from PubChem (CID 155926980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).