Basic information
- CAS
66234-55-7- Standard SMILES
Cn1cnc2cc(N3CCCCC3)c([N+](=O)[O-])cc2c1=O- InChIKey
PBWBBNVNQGUAQS-UHFFFAOYSA-N- Molecular formula
- C14H16N4O3
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.12224039
Names & identifiers
- Preferred name
- 3-Methyl-6-nitro-7-(piperidin-1-yl)quinazolin-4(3H)-one
- IUPAC
- 3-methyl-6-nitro-7-piperidin-1-ylquinazolin-4-one
Names & synonyms
66234-55-7NSC2775123-Methyl-6-nitro-7-(piperidin-1-yl)quinazolin-4(3H)-oneDTXSID40313808NSC-277512
Database identifiers
- CAS
66234-55-7- PubChem CID
- 322018
- DTXSID
DTXSID40313808
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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