3-Nitro-6-(2-(pyrrolidin-1-yl)ethoxy)quinoline

HCID 59507599

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1cnc2ccc(OCCN3CCCC3)cc2c1
InChIKey: UWLOPEGBDPUMTM-UHFFFAOYSA-N
Molecular formula: C15H17N3O3
Average molar mass: 287.31 g/mol

Names & identifiers

Preferred name: 3-Nitro-6-(2-(pyrrolidin-1-yl)ethoxy)quinoline
IUPAC: 3-nitro-6-(2-pyrrolidin-1-ylethoxy)quinoline

Names & synonyms

SCHEMBL2813067UWLOPEGBDPUMTM-UHFFFAOYSA-NDB-1659823-nitro-6-(2-(pyrrolidin-1-yl)ethoxy)quinoline3-Nitro-6-[2-(1-pyrrolidinyl)ethoxy]quinoline944401-84-7

Database identifiers

PubChem CID: 59507599

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 71.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 355

Related reactions

6 records

New reaction record

HRID 108360As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 799930As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1043784As productuspto-grants-2013_10

HRID 1043785As reactantuspto-grants-2013_10

HRID 1512113As productuspto-grants-2012_07

HRID 1512114As reactantuspto-grants-2012_07

Compound notes

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