Basic information
- Standard SMILES
COC(=O)C(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1C- InChIKey
ZDHNAPJCCZPPCX-UHFFFAOYSA-N- Molecular formula
- C21H23N5O3
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- methyl 2-methyl-2-((3-methyl-8-(4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl)amino)propanoate
- IUPAC
- methyl 2-methyl-2-[[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]propanoate
Names & synonyms
CHEMBL3956734SCHEMBL15230781ZDHNAPJCCZPPCX-UHFFFAOYSA-NBDBM238430US9394297, 57methyl 2-methyl-2-((3-methyl-8-(4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl)amino)propanoatemethyl 2-methyl-N-(3-methyl-8-(4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-quinoxalinyl)alaninate
Database identifiers
- PubChem CID
- 89783607
- ChEMBL
CHEMBL3956734
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 642
Related reactions
2 records
Compound notes
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