3-(4-nitro-phenyl)-7-chloro-3-methyl-1H-quinoline-2,4-dione

HCID 11616901

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC1(c2ccc([N+](=O)[O-])cc2)C(=O)Nc2cc(Cl)ccc2C1=O
InChIKey: VXWWKNIPIKTJAE-UHFFFAOYSA-N
Molecular formula: C16H11ClN2O4
Average molar mass: 330.72 g/mol

Names & identifiers

Preferred name: 3-(4-nitro-phenyl)-7-chloro-3-methyl-1H-quinoline-2,4-dione
IUPAC: 7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione

Names & synonyms

SCHEMBL3856063VXWWKNIPIKTJAE-UHFFFAOYSA-N3-(4-nitro-phenyl)-7-chloro-3-methyl-1H-quinoline-2,4-dione7-chloro-3-methyl-3-(4-nitro-phenyl)-1H-quinoline-2,4-dione

Database identifiers

PubChem CID: 11616901

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 92 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 23
Formal charge: 0
Complexity: 527

Related reactions

6 records

New reaction record

HRID 89020As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 681518As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 735262As productuspto-grants-2009_09

HRID 735263As reactantuspto-grants-2009_09

HRID 735269As reactantuspto-grants-2009_09

HRID 2139304As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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