Basic information
- CAS
16688-20-3- Standard SMILES
CCOC(=O)c1ccccc1NC1CCn2c1nc1ccccc1c2=O- InChIKey
XESDUHSYWZBXPQ-UHFFFAOYSA-N- Molecular formula
- C20H19N3O3
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.14264148
Overview
Anisessine is a member of quinazolines.
Names & identifiers
- Preferred name
- Anisessine
- IUPAC
- ethyl 2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)amino]benzoate
Names & synonyms
Anisessine16688-20-3ethyl 2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)amino]benzoateC10637AC1L9DKQCHEBI:2734DTXSID30331990XESDUHSYWZBXPQ-UHFFFAOYSA-NAnthranilic acid, N-(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-b]quinazolin-3-yl)-, ethyl esterBenzoic acid, 2-[(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-b]quinazolin-3-yl)amino]-, ethyl esterQ27105791Ethyl 2-[(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)amino]benzoate
Show more names
Ethyl 2-[(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)amino]benzoate #
Database identifiers
- CAS
16688-20-3- PubChem CID
- 442883
- DTXSID
DTXSID30331990- ChEBI
CHEBI:2734- Nikkaji
- J15.454G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 591
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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