Basic information
- CAS
370847-09-9- Standard SMILES
CN1CCN(c2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)CC1- InChIKey
IEIJJYXPXGFJHX-UHFFFAOYSA-N- Molecular formula
- C19H19N5O2
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.15387487
Names & identifiers
- Preferred name
- 4-(4-Methylpiperazin-1-yl)-2-(3-nitrophenyl)quinazoline
- IUPAC
- 4-(4-methylpiperazin-1-yl)-2-(3-nitrophenyl)quinazoline
Names & synonyms
4-(4-methylpiperazin-1-yl)-2-(3-nitrophenyl)quinazoline370847-09-9MLS001163978CHEMBL1441463DTXSID401325134HMS2854B23STK538655AKOS005469293CCG-313506SMR000539304VU0472660-1
Database identifiers
- CAS
370847-09-9- PubChem CID
- 949366
- DTXSID
DTXSID401325134- ChEMBL
CHEMBL1441463
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 491
Experimental & physicochemical properties
Solubility8.5 [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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