4-Chloro-2-(5-nitrofuran-2-yl)-5,6,7,8-tetrahydroquinazoline
Basic information
- CAS
61378-94-7- Standard SMILES
O=[N+]([O-])c1ccc(-c2nc(Cl)c3c(n2)CCCC3)o1- InChIKey
AMZGQFFSYYMGLY-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3O3
- Average molar mass
- 279.68 g/mol
- Monoisotopic mass
- 279.0410689
Names & identifiers
- Preferred name
- 4-Chloro-2-(5-nitrofuran-2-yl)-5,6,7,8-tetrahydroquinazoline
- IUPAC
- 4-chloro-2-(5-nitrofuran-2-yl)-5,6,7,8-tetrahydroquinazoline
Names & synonyms
MLS003115596NSC28873461378-94-74-chloro-2-(5-nitrofuran-2-yl)-5,6,7,8-tetrahydroquinazolineCHEMBL1890590DTXSID20314818NSC-288734SMR0018311694-Chloro-2-(5-nitro-2-furyl)-5,6,7,8-tetrahydroquinazoline
Database identifiers
- CAS
61378-94-7- PubChem CID
- 324229
- DTXSID
DTXSID20314818- ChEMBL
CHEMBL1890590
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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