3-aminomethyl-7-chloro-2-oxazol-2-yl-1-phenyl-1H-quinolin-4-one

HCID 71208332

Notes Reactions

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Basic information

Standard SMILES: NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O
InChIKey: RFFYQZODWJBQDD-UHFFFAOYSA-N
Molecular formula: C19H14ClN3O2
Average molar mass: 351.8 g/mol
Monoisotopic mass: 351.0774544

Names & identifiers

Preferred name: 3-aminomethyl-7-chloro-2-oxazol-2-yl-1-phenyl-1H-quinolin-4-one
IUPAC: 3-(aminomethyl)-7-chloro-2-(1,3-oxazol-2-yl)-1-phenylquinolin-4-one

Names & synonyms

SCHEMBL14575843RFFYQZODWJBQDD-UHFFFAOYSA-N3-aminomethyl-7-chloro-2-oxazol-2-yl-1-phenyl-1H-quinolin-4-one

Database identifiers

PubChem CID: 71208332

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 72.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 547

Related reactions

13 records

New reaction record

HRID 125033As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 174209As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 187360As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 835648As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1142236As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1149478As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1220852As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1887831As reactantuspto-grants-2013_08

Compound notes

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