Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC=C(c2ccc3nccnc3c2)CC1- InChIKey
DDIUVCHYZSYVQM-UHFFFAOYSA-N- Molecular formula
- C18H21N3O2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.16337692
Names & identifiers
- Preferred name
- 4-Quinoxalin-6-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-quinoxalin-6-yl-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
SCHEMBL1199869DDIUVCHYZSYVQM-UHFFFAOYSA-NDB-419747tert-butyl 4-(quinoxalin-6-yl)-3,6-dihydropyridine-1(2H)-carboxylate4-Quinoxalin-6-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester1093065-07-6
Database identifiers
- PubChem CID
- 57686200
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 469
Related reactions
1 records
Compound notes
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