Basic information
- CAS
61938-66-7- Standard SMILES
O=c1c2cc(I)ccc2nc2n1CCC2- InChIKey
DMOZYSZRNOWILX-UHFFFAOYSA-N- Molecular formula
- C11H9IN2O
- Average molar mass
- 312.11 g/mol
- Monoisotopic mass
- 311.97596
Names & identifiers
- Preferred name
- 7-iodo-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
- IUPAC
- 7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Names & synonyms
61938-66-77-iodo-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-oneF3097-25167-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-oneCHEMBL1514984DTXSID70352609AKOS002348685MLS-0425680.0001
Database identifiers
- CAS
61938-66-7- PubChem CID
- 730208
- DTXSID
DTXSID70352609- ChEMBL
CHEMBL1514984
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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