8-Quinolinol, 5-nitro-7-(1-pyrrolidinylmethyl)-

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Basic information

CAS: 74440-55-4
Standard SMILES: O=[N+]([O-])c1cc(CN2CCCC2)c(O)c2ncccc12
InChIKey: VKYDSYZUZGUKLN-UHFFFAOYSA-N
Molecular formula: C14H15N3O3
Average molar mass: 273.29 g/mol
Monoisotopic mass: 273.11134135

Names & identifiers

Preferred name: 8-Quinolinol, 5-nitro-7-(1-pyrrolidinylmethyl)-
IUPAC: 5-nitro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

Names & synonyms

8-Quinolinol, 5-nitro-7-(1-pyrrolidinylmethyl)-74440-55-45-Nitro-7-(1-pyrrolidinylmethyl)-8-quinolinolSCHEMBL2237510CHEMBL2407603SCHEMBL29622805DTXSID602254545-Nitro-7-[(pyrrolidin-1-yl)methyl]quinolin-8-ol

Database identifiers

CAS: 74440-55-4
PubChem CID: 150800
DTXSID: DTXSID60225454
ChEMBL: CHEMBL2407603

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 82.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 354

Related reactions

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Compound notes

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