6-Chloro-N-quinolin-7-yl-nicotinamide

HCID 44578987

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(Nc1ccc2cccnc2c1)c1ccc(Cl)nc1
InChIKey: HLONFLVVLOUMPT-UHFFFAOYSA-N
Molecular formula: C15H10ClN3O
Average molar mass: 283.71 g/mol

Names & identifiers

Preferred name: 6-Chloro-N-quinolin-7-yl-nicotinamide
IUPAC: 6-chloro-N-quinolin-7-ylpyridine-3-carboxamide

Names & synonyms

CHEMBL477203SCHEMBL4426813HLONFLVVLOUMPT-UHFFFAOYSA-N6-Chloro-N-quinolin-7-yl-nicotinamide

Database identifiers

PubChem CID: 44578987
ChEMBL: CHEMBL477203

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 54.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 352

Related reactions

8 records

New reaction record

HRID 105091As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 305254As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 494192As productuspto-grants-2009_05

HRID 494264As reactantuspto-grants-2009_05

HRID 494266As reactantuspto-grants-2009_05

HRID 494267As reactantuspto-grants-2009_05

HRID 798893As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1219924As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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