(2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate

C22H17N3O5-2 — CID 7417343

IUPAC(2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate
SMILESCc1ccc(-c2cc(C(=O)N/N=C(\CCC(=O)[O-])C(=O)[O-])c3ccccc3n2)cc1
InChIInChI=1S/C22H19N3O5/c1-13-6-8-14(9-7-13)19-12-16(15-4-2-3-5-17(15)23-19)21(28)25-24-18(22(29)30)10-11-20(26)27/h2-9,12H,10-11H2,1H3,(H,25,28)(H,26,27)(H,29,30)/p-2/b24-18+
InChIKeyXYPGWUWNPABEHP-HKOYGPOVSA-L
MW403.39 g/mol
LogP0.58
Rot. Bonds7

About (2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate

(2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate (PubChem CID 7417343) has the molecular formula C22H17N3O5-2 and a molecular weight of 403.39 g/mol. Its IUPAC name is (2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate.

Molecular Properties

Compound Name(2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate
PubChem CID7417343
Molecular FormulaC22H17N3O5-2
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Name(2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate
SMILESCc1ccc(-c2cc(C(=O)N/N=C(\CCC(=O)[O-])C(=O)[O-])c3ccccc3n2)cc1
InChIInChI=1S/C22H19N3O5/c1-13-6-8-14(9-7-13)19-12-16(15-4-2-3-5-17(15)23-19)21(28)25-24-18(22(29)30)10-11-20(26)27/h2-9,12H,10-11H2,1H3,(H,25,28)(H,26,27)(H,29,30)/p-2/b24-18+
InChIKeyXYPGWUWNPABEHP-HKOYGPOVSA-L
XLogP0.58
TPSA134.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 50.58
H-Bond Donors ≤ 51
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 (2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate 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-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
CID 3731183
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6063803
N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7933716
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 135533651
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
(2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate
CID 7789598
4-methyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate
CID 5081114

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate?
The IUPAC name of (2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate (CID 7417343) is (2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate.
What is the SMILES notation for (2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate?
The canonical SMILES for (2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate is Cc1ccc(-c2cc(C(=O)N/N=C(\CCC(=O)[O-])C(=O)[O-])c3ccccc3n2)cc1.
What is the InChIKey of (2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate?
The InChIKey is XYPGWUWNPABEHP-HKOYGPOVSA-L. The full InChI is InChI=1S/C22H19N3O5/c1-13-6-8-14(9-7-13)19-12-16(15-4-2-3-5-17(15)23-19)21(28)25-24-18(22(29)30)10-11-20(26)27/h2-9,12H,10-11H2,1H3,(H,25,28)(H,26,27)(H,29,30)/p-2/b24-18+.
What are the key properties of (2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate?
(2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate has a molecular weight of 403.39 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate is sourced from PubChem (CID 7417343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).