(2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate

C15H11N3O5-2 — CID 7789598

IUPAC(2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate
SMILESO=C([O-])CC/C(=N\NC(=O)c1ccc2ccccc2n1)C(=O)[O-]
InChIInChI=1S/C15H13N3O5/c19-13(20)8-7-12(15(22)23)17-18-14(21)11-6-5-9-3-1-2-4-10(9)16-11/h1-6H,7-8H2,(H,18,21)(H,19,20)(H,22,23)/p-2/b17-12+
InChIKeyYVEFLSTZIQCYQI-SFQUDFHCSA-L
MW313.27 g/mol
LogP-1.40
Rot. Bonds6

About (2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate

(2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate (PubChem CID 7789598) has the molecular formula C15H11N3O5-2 and a molecular weight of 313.27 g/mol. Its IUPAC name is (2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate.

Molecular Properties

Compound Name(2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate
PubChem CID7789598
Molecular FormulaC15H11N3O5-2
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name(2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate
SMILESO=C([O-])CC/C(=N\NC(=O)c1ccc2ccccc2n1)C(=O)[O-]
InChIInChI=1S/C15H13N3O5/c19-13(20)8-7-12(15(22)23)17-18-14(21)11-6-5-9-3-1-2-4-10(9)16-11/h1-6H,7-8H2,(H,18,21)(H,19,20)(H,22,23)/p-2/b17-12+
InChIKeyYVEFLSTZIQCYQI-SFQUDFHCSA-L
XLogP-1.40
TPSA134.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 5-1.40
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'}

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Related Compounds

N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide
CID 29223067
N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide
CID 97186271
N-(2-methoxyethoxy)quinoline-2-carboxamide
CID 79676009
2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide
CID 164702541
(4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate
CID 54697775
N'-butanoylquinoline-2-carbohydrazide
CID 29266790
N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide
CID 177489963
iridium(3+);tris(quinoline-2-carboxylate)
CID 161052613
tris(quinoline-2-carboxylate);ruthenium(3+)
CID 15777317
copper(1+);quinoline-2-carboxylate
CID 159046158
chromium(3+);tris(quinoline-2-carboxylate)
CID 86616048
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate?
The IUPAC name of (2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate (CID 7789598) is (2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate.
What is the SMILES notation for (2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate?
The canonical SMILES for (2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate is O=C([O-])CC/C(=N\NC(=O)c1ccc2ccccc2n1)C(=O)[O-].
What is the InChIKey of (2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate?
The InChIKey is YVEFLSTZIQCYQI-SFQUDFHCSA-L. The full InChI is InChI=1S/C15H13N3O5/c19-13(20)8-7-12(15(22)23)17-18-14(21)11-6-5-9-3-1-2-4-10(9)16-11/h1-6H,7-8H2,(H,18,21)(H,19,20)(H,22,23)/p-2/b17-12+.
What are the key properties of (2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate?
(2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate has a molecular weight of 313.27 g/mol, XLogP of -1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate is sourced from PubChem (CID 7789598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).