3-Quinolinecarboxylic acid, 1,2-dihydro-4-(isobutylamino)-1-methyl-2-oxo-, ethyl ester
Basic information
- CAS
75483-09-9- Standard SMILES
CCOC(=O)c1c(NCC(C)C)c2ccccc2n(C)c1=O- InChIKey
VYSGRPRMVYGCNR-UHFFFAOYSA-N- Molecular formula
- C17H22N2O3
- Average molar mass
- 302.37 g/mol
- Monoisotopic mass
- 302.16304257
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 1,2-dihydro-4-(isobutylamino)-1-methyl-2-oxo-, ethyl ester
- IUPAC
- ethyl 1-methyl-4-(2-methylpropylamino)-2-oxoquinoline-3-carboxylate
Names & synonyms
3-Quinolinecarboxylic acid, 1,2-dihydro-4-(isobutylamino)-1-methyl-2-oxo-, ethyl ester75483-09-9BRN 04276294-Isobutylamino-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid ethyl esterDTXSID40226424Ethyl 1-methyl-4-[(2-methylpropyl)amino]-2-oxo-1,2-dihydroquinoline-3-carboxylate
Database identifiers
- CAS
75483-09-9- PubChem CID
- 3058684
- DTXSID
DTXSID40226424
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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