Basic information
- Standard SMILES
COc1cc2cc(CO)c(CO)c(-c3ccnc(-n4c(=O)ccc5ccccc54)c3)c2cc1OC- InChIKey
IQKXFSXPCZEULC-UHFFFAOYSA-N- Molecular formula
- C28H24N2O5
- Average molar mass
- 468.5 g/mol
Names & identifiers
- Preferred name
- 1-[2-(2-Oxo-1,2-dihydroquinolin-1-yl)-4-pyridyl]-2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalene
- IUPAC
- 1-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2-pyridinyl]quinolin-2-one
Names & synonyms
CHEMBL12383SCHEMBL7742049IQKXFSXPCZEULC-UHFFFAOYSA-NBDBM500748891-[2-(2-oxo-1,2-dihydroquinolin-1-yl)-4-pyridyl]-2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalene1-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthalen-1-yl)-pyridin-2-yl]-1H-quinolin-2-one
Database identifiers
- PubChem CID
- 9912467
- ChEMBL
CHEMBL12383- Nikkaji
- J1.092.099J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 762
Related reactions
6 records
Compound notes
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