2,5-Dichloro-4-[5-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2-methyl-pyridin-4-yloxy]-benzoic acid

HCID 53311449

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(Oc2cc(Cl)c(C(=O)O)cc2Cl)c(C(=O)N2CCN(C3CC3)c3ccccc32)cn1
InChIKey: NQJYISQZJPKDKW-UHFFFAOYSA-N
Molecular formula: C25H21Cl2N3O4
Average molar mass: 498.4 g/mol
Monoisotopic mass: 497.0909115

Names & identifiers

Preferred name: 2,5-Dichloro-4-[5-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2-methyl-pyridin-4-yloxy]-benzoic acid
IUPAC: 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoic acid

Names & synonyms

SCHEMBL2217390NQJYISQZJPKDKW-UHFFFAOYSA-N2,5-Dichloro-4-[5-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2-methyl-pyridin-4-yloxy]-benzoic acid

Database identifiers

PubChem CID: 53311449

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 83 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 34
Formal charge: 0
Complexity: 768

Related reactions

15 records

New reaction record

HRID 110283As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 157130As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 173715As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 294412As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1025892As productuspto-grants-2014_05

HRID 1025893As reactantuspto-grants-2014_05

HRID 1025895As reactantuspto-grants-2014_05

HRID 1025897As reactantuspto-grants-2014_05

Compound notes

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