4-[7-(3-Methoxycarbonyl-propoxy)-6-methyl-quinolin-8-yl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester
Basic information
- Standard SMILES
COC(=O)CCCOc1c(C)cc2cccnc2c1N1CCCN(C(=O)OC(C)(C)C)CC1- InChIKey
IFJKLCWNQRMCDY-UHFFFAOYSA-N- Molecular formula
- C25H35N3O5
- Average molar mass
- 457.6 g/mol
Names & identifiers
- Preferred name
- 4-[7-(3-Methoxycarbonyl-propoxy)-6-methyl-quinolin-8-yl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[7-(4-methoxy-4-oxobutoxy)-6-methylquinolin-8-yl]-1,4-diazepane-1-carboxylate
Names & synonyms
SCHEMBL2358714IFJKLCWNQRMCDY-UHFFFAOYSA-N4-[7-(3-Methoxycarbonyl-propoxy)-6-methyl-quinolin-8-yl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59366175
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 652
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Related reactions
6 records
Compound notes
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