3-Isobutyryl-4-(2-methylphenylamino)-8-(2-methoxyethoxy)quinoline
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Basic information
- Standard SMILES
COCCOc1cccc2c(Nc3ccccc3C)c(C(=O)C(C)C)cnc12- InChIKey
IKHFNCCGNJLKMQ-UHFFFAOYSA-N- Molecular formula
- C23H26N2O3
- Average molar mass
- 378.5 g/mol
Names & identifiers
- Preferred name
- 3-Isobutyryl-4-(2-methylphenylamino)-8-(2-methoxyethoxy)quinoline
- IUPAC
- 1-[8-(2-methoxyethoxy)-4-(2-methylanilino)quinolin-3-yl]-2-methylpropan-1-one
Names & synonyms
CHEMBL420433SCHEMBL9270736IKHFNCCGNJLKMQ-UHFFFAOYSA-NBDBM500319793-isobutyryl-4-(2-methylphenylamino)-8-(2-methoxyethoxy)quinoline1-[8-(2-Methoxy-ethoxy)-4-o-tolylamino-quinolin-3-yl]-2-methyl-propan-1-one
Database identifiers
- PubChem CID
- 10091067
- ChEMBL
CHEMBL420433
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 498
Related reactions
3 records
Compound notes
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