2-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide

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Basic information

CAS: 345332-92-5
Standard SMILES: O=C(N/N=C/c1ccccn1)c1cc(C2CC2)nc2ccccc12
InChIKey: YFIMWCPHGKKRFN-CIAFOILYSA-N
Molecular formula: C19H16N4O
Average molar mass: 316.4 g/mol
Monoisotopic mass: 316.13241115

Names & identifiers

Preferred name: 2-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
IUPAC: 2-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide

Names & synonyms

2-cyclopropyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide345332-92-5MLS000923784CHEMBL1983587DTXSID901329436STK840560AKOS001649775SMR000620061(E)-2-cyclopropyl-N'-(pyridin-2-ylmethylene)quinoline-4-carbohydrazide2-cyclopropyl-N'-[(E)-pyridin-2-ylmethylidene]quinoline-4-carbohydrazide2-CYCLOPROPYL-N'-[(E)-(PYRIDIN-2-YL)METHYLIDENE]QUINOLINE-4-CARBOHYDRAZIDE

Database identifiers

CAS: 345332-92-5
PubChem CID: 6884658
DTXSID: DTXSID901329436
ChEMBL: CHEMBL1983587

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 476

Experimental & physicochemical properties

Solubility38.3 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

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Compound notes

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