N-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]pyridine-4-carboxamide
Basic information
- CAS
5840-14-2- Standard SMILES
COc1ccc(C2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccncc2)cc1- InChIKey
QFXRNZXBIZIIJA-UHFFFAOYSA-N- Molecular formula
- C24H23N3O5
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.16377084
Names & identifiers
- Preferred name
- N-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]pyridine-4-carboxamide
- IUPAC
- N-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]pyridine-4-carboxamide
Names & synonyms
5840-14-2N-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]pyridine-4-carboxamideN-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]pyridine-4-carboxamideDTXSID70411548STK008593AKOS001039879AKOS022083768SR-01000040015SR-01000040015-1Z56890591
Database identifiers
- CAS
5840-14-2- PubChem CID
- 5227747
- DTXSID
DTXSID70411548
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 648
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Compound notes
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