Basic information
- CAS
299169-82-7- Standard SMILES
COC(=O)c1nc(CNC(=O)c2cccnc2C)c2cc(OCc3ccccn3)ccc2c1-c1cc(OC)c(OC)c(OC)c1- InChIKey
FPMWEHVZSVBULU-UHFFFAOYSA-N- Molecular formula
- C34H32N4O7
- Average molar mass
- 608.6 g/mol
- Monoisotopic mass
- 608.22709937
Names & identifiers
- Preferred name
- Methyl 1-[[[(2-methyl-3-pyridinyl)carbonyl]amino]methyl]-7-(2-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate
- IUPAC
- methyl 1-[[(2-methylpyridine-3-carbonyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate
Names & synonyms
DTXSID701102210299169-82-7Methyl 1-[[[(2-methyl-3-pyridinyl)carbonyl]amino]methyl]-7-(2-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate
Database identifiers
- CAS
299169-82-7- PubChem CID
- 165366705
- DTXSID
DTXSID701102210
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 944
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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