3-Quinolinecarbonitrile, 4-hydroxy-8-(1-methylethyl)-
Basic information
- CAS
61338-21-4- Standard SMILES
CC(C)c1cccc2c(=O)c(C#N)c[nH]c12- InChIKey
HYGMZVLYPOOZQU-UHFFFAOYSA-N- Molecular formula
- C13H12N2O
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.09496301
Names & identifiers
- Preferred name
- 3-Quinolinecarbonitrile, 4-hydroxy-8-(1-methylethyl)-
- IUPAC
- 4-oxo-8-propan-2-yl-1H-quinoline-3-carbonitrile
Names & synonyms
61338-21-471083-70-03-Quinolinecarbonitrile, 4-hydroxy-8-(1-methylethyl)-4-HYDROXY-8-ISOPROPYLQUINOLINE-3-CARBONITRILE4-OXO-8-(PROPAN-2-YL)-1,4-DIHYDROQUINOLINE-3-CARBONITRILE3-Quinolinecarbonitrile, 1,4-dihydro-8-(1-methylethyl)-4-oxo-4-HYDROXY-8-(1-METHYLETHYL)-3-QUINOLINECARBONITRILEDTXSID90640934AKOS000194793DB-349351DB-349515
Database identifiers
- CAS
61338-21-4- PubChem CID
- 24707366
- DTXSID
DTXSID90640934
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 375
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Compound notes
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