4(3H)-Quinazolinone, 3-(2-(1-(4-morpholinylmethyl)-1H-benzimidazol-2-yl)phenyl)-2-(2-nitrophenoxy)-
Basic information
- CAS
91045-36-2- Standard SMILES
O=c1c2ccccc2nc(Oc2ccccc2[N+](=O)[O-])n1-c1ccccc1-c1nc2ccccc2n1CN1CCOCC1- InChIKey
JVQMMTWOSQZSEN-UHFFFAOYSA-N- Molecular formula
- C32H26N6O5
- Average molar mass
- 574.6 g/mol
- Monoisotopic mass
- 574.19646795
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(2-(1-(4-morpholinylmethyl)-1H-benzimidazol-2-yl)phenyl)-2-(2-nitrophenoxy)-
- IUPAC
- 3-[2-[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-(2-nitrophenoxy)quinazolin-4-one
Names & synonyms
91045-36-24(3H)-Quinazolinone, 3-(2-(1-(4-morpholinylmethyl)-1H-benzimidazol-2-yl)phenyl)-2-(2-nitrophenoxy)-DTXSID90238390RefChem:283974DTXCID101608813-(2-{1-[(Morpholin-4-yl)methyl]-1H-1,3-benzimidazol-2-yl}phenyl)-2-(2-nitrophenoxy)quinazolin-4(3H)-one
Database identifiers
- CAS
91045-36-2- PubChem CID
- 63652
- DTXSID
DTXSID90238390
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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