4-(3-Chloropropanoyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1(2h)-one
Basic information
- CAS
6965-13-5- Standard SMILES
O=C1CCC2N1Cc1ccccc1N2C(=O)CCCl- InChIKey
NKSHNRNHXPSWQK-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O2
- Average molar mass
- 278.73 g/mol
- Monoisotopic mass
- 278.0822054
Names & identifiers
- Preferred name
- 4-(3-Chloropropanoyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1(2h)-one
- IUPAC
- 4-(3-chloropropanoyl)-2,3,3a,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one
Names & synonyms
6965-13-54-(3-Chloropropanoyl)-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazolin-1(9H)-one4-(3-chloropropanoyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1(2h)-oneNSC67089DTXSID50290156NSC-67089
Database identifiers
- CAS
6965-13-5- PubChem CID
- 249117
- DTXSID
DTXSID50290156
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…