Basic information
- CAS
212500-02-2- Standard SMILES
COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1- InChIKey
ORZROTLRYOYVPB-UHFFFAOYSA-N- Molecular formula
- C32H29N3O7
- Average molar mass
- 567.6 g/mol
- Monoisotopic mass
- 567.20055027
Names & identifiers
- Preferred name
- T-1032 free base
- IUPAC
- methyl 2-(4-aminophenyl)-1-oxo-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate
Names & synonyms
T-1032 free baseGNI5R14CFDUNII-GNI5R14CFD212500-02-23-Isoquinolinecarboxylic acid, 2-(4-aminophenyl)-1,2-dihydro-1-oxo-7-(2-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-, methyl esterRefChem:203181CHEMBL553371NCGC00016052-01Lopac-T-7692Lopac0_001241SCHEMBL687427orb3173225
Show more names
CHEMBL1179483BDBM50100662CCG-205315NCGC00016052-02NCGC00162374-01Q27279196methyl 2-(4-aminophenyl)-1-oxo-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-3-isoquinolinecarboxylate.dihydrochloride
Database identifiers
- CAS
212500-02-2- PubChem CID
- 5369
- ChEMBL
CHEMBL1179483、CHEMBL553371- UNII
- GNI5R14CFD
- Nikkaji
- J1.394.484I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 954
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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