3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-(1-methylethoxy)-
Basic information
- CAS
171011-08-8- Standard SMILES
CC(C)Oc1nc2c(cc1C(N)=O)CCCC2- InChIKey
YQRRDRNDXQVQTQ-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- 3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-(1-methylethoxy)-
- IUPAC
- 2-propan-2-yloxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
- English name
- 3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-(1-methylethoxy)-
- Molecular formula
- C13H18N2O2
- Molecular weight
- 234.29
Names & synonyms
171011-08-83-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-(1-methylethoxy)-2-Isoqopropoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide5,6,7,8-Tetrahydro-2-(1-methylethoxy)-3-quinolinecarboxamideDTXSID80168990RefChem:282512DTXCID00914812-propan-2-yloxy-5,6,7,8-tetrahydroquinoline-3-carboxamide2-Isopropoxy-5,6,7,8-tetrahydro-3-quinolinecarboxamide2-[(Propan-2-yl)oxy]-5,6,7,8-tetrahydroquinoline-3-carboxamide
Database identifiers
- CAS
171011-08-8- PubChem CID
- 3075005
- DTXSID
DTXSID80168990
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- EWG's Food Scores
- 1 · 1
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Related reactions
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Compound notes
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