Basic information
- Standard SMILES
CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(NC(=O)N3CCCC3)c1)N2- InChIKey
FYOBOCWIIMUBQA-UHFFFAOYSA-N- Molecular formula
- C25H31N3O3
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.23654186
Names & identifiers
- Preferred name
- 3,3-Dimethyl-2-{3-[(pyrrolidine-1-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester
- IUPAC
- ethyl 3,3-dimethyl-2-[3-(pyrrolidine-1-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate
Names & synonyms
SCHEMBL2537177FYOBOCWIIMUBQA-UHFFFAOYSA-N3,3-dimethyl-2-{3-[(pyrrolidine-1-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 67443364
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 646
Related reactions
6 records
Compound notes
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