Tert-butyl 4-(2-chloro-4-((1-(quinolin-2-YL)azetidin-3-YL)oxy)pyrimidin-5-YL)-5,6-dihydropyridine-1(2H)-carboxylate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC=C(c2cnc(Cl)nc2OC2CN(c3ccc4ccccc4n3)C2)CC1- InChIKey
NOGQMXQZNXGBPN-UHFFFAOYSA-N- Molecular formula
- C26H28ClN5O3
- Average molar mass
- 494 g/mol
- Monoisotopic mass
- 493.1880675
Names & identifiers
- Preferred name
- Tert-butyl 4-(2-chloro-4-((1-(quinolin-2-YL)azetidin-3-YL)oxy)pyrimidin-5-YL)-5,6-dihydropyridine-1(2H)-carboxylate
- IUPAC
- tert-butyl 4-[2-chloro-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
SCHEMBL2631238NOGQMXQZNXGBPN-UHFFFAOYSA-NTERT-BUTYL 4-(2-CHLORO-4-((1-(QUINOLIN-2-YL)AZETIDIN-3-YL)OXY)PYRIMIDIN-5-YL)-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
Database identifiers
- PubChem CID
- 58547741
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 783
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Related reactions
5 records
Compound notes
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