Basic information
- CAS
53541-66-5- Standard SMILES
Cc1cc(N2CCCC2)nc2ccccc12- InChIKey
HEIIJGQRVGSYNP-UHFFFAOYSA-N- Molecular formula
- C14H16N2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.13134852
Names & identifiers
- Preferred name
- 4-Methyl-2-(1-pyrrolidinyl)quinoline
- IUPAC
- 4-methyl-2-pyrrolidin-1-ylquinoline
Names & synonyms
4-methyl-2-(1-pyrrolidinyl)quinoline53541-66-54-methyl-2-(pyrrolidin-1-yl)quinoline4-methyl-2-pyrrolidin-1-ylquinolineMFCD01316268Bionet2_000491Oprea1_457591Oprea1_788737MLS000764195CHEMBL1345483SCHEMBL26723750BDBM77620
Show more names
cid_46259336DTXSID301322006HMS1365G07HMS2667O094-methyl-2-pyrrolidin-1-yl-quinolineAKOS0050921444N-539SSMR000335012
Database identifiers
- CAS
53541-66-5- PubChem CID
- 910458
- DTXSID
DTXSID301322006- ChEMBL
CHEMBL1345483
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 16.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
Solubility31.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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