4-{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoylamino}-heptanedioic acid dimethyl ester

HCID 53311272
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Basic information

Standard SMILES
COC(=O)CCC(CCC(=O)OC)NC(=O)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
InChIKey
CYUBZQVCIVAORQ-UHFFFAOYSA-N
Molecular formula
C33H34Cl2N4O7
Average molar mass
669.5 g/mol
Monoisotopic mass
668.1804548

Names & identifiers

Preferred name
4-{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoylamino}-heptanedioic acid dimethyl ester
IUPAC
dimethyl 4-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]heptanedioate

Names & synonyms

SCHEMBL2217153CYUBZQVCIVAORQ-UHFFFAOYSA-N4-{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoylamino}-heptanedioic acid dimethyl ester

Database identifiers

PubChem CID
53311272

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
127 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
14
Heavy atoms
46

Related reactions

3 records
New reaction record

Compound notes

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