Basic information
- CAS
58457-42-4- Standard SMILES
Cc1[nH]c2c(ccc3cccnc32)c1C- InChIKey
APTDWHWHMIIOLV-UHFFFAOYSA-N- Molecular formula
- C13H12N2
- Average molar mass
- 196.25 g/mol
- Monoisotopic mass
- 196.10004839
Names & identifiers
- Preferred name
- 2,3-Dimethyl-1H-pyrrolo[3,2-h]quinoline
- IUPAC
- 2,3-dimethyl-1H-pyrrolo[3,2-h]quinoline
Names & synonyms
2,3-Dimethyl-1H-pyrrolo[3,2-h]quinoline58457-42-4MLS000762534CHEMBL1362472SCHEMBL12145750DTXSID001321566HMS2811L04STL349051AKOS006274736SMR0004380752,3-dimethyl-[1h]-pyrrolo[3,2-h]quinoline
Database identifiers
- CAS
58457-42-4- PubChem CID
- 3696582
- DTXSID
DTXSID001321566- ChEMBL
CHEMBL1362472
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
Solubility19.4 [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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