Basic information
- Standard SMILES
COc1ccc2c(Nc3c(C)cncc3C)cc(=O)[nH]c2c1OCCCCCCN(C)CCCO- InChIKey
QJPNBIGAQILVLV-UHFFFAOYSA-N- Molecular formula
- C27H38N4O4
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.28930571
Names & identifiers
- Preferred name
- 4-(3,5-Dimethylpyridin-4-ylamino)-8-(6-((3-hydroxypropyl)(methyl)amino)hexyloxy)-7-methoxyquinolin-2(1H)-one
- IUPAC
- 4-[(3,5-dimethyl-4-pyridinyl)amino]-8-[6-[3-hydroxypropyl(methyl)amino]hexoxy]-7-methoxy-1H-quinolin-2-one
Names & synonyms
SCHEMBL730826QJPNBIGAQILVLV-UHFFFAOYSA-N4-(3,5-Dimethylpyridin-4-ylamino)-8-(6-((3-hydroxypropyl)(methyl)amino)hexyloxy)-7-methoxyquinolin-2(1H)-one
Database identifiers
- PubChem CID
- 53344837
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 666
Related reactions
2 records
Compound notes
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