Anisotine
Basic information
- CAS
16688-19-0- Standard SMILES
CNc1ccc(C2CCn3c2nc2ccccc2c3=O)cc1C(=O)OC- InChIKey
FZKRWTVMKFSFSG-UHFFFAOYSA-N- Molecular formula
- C20H19N3O3
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.14264148
Overview
Anisotine is a member of quinazolines.
Names & identifiers
- Preferred name
- Anisotine
- IUPAC
- methyl 2-(methylamino)-5-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)benzoate
- English name
- Anisotine
- Molecular formula
- C20H19N3O3
- Molecular weight
- 349.38
Names & synonyms
Anisotine16688-19-0methyl 2-(methylamino)-5-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)benzoateDTXSID90331991methyl 2-(methylamino)-5-(9-oxo-2,3-dihydro-1H-pyrrolo(2,1-b)quinazolin-3-yl)benzoateMethyl 2-(methylamino)-5-((3R)-9-oxo-1H,2H,3H,9H-pyrrolo(2,1-b)quinazolin-3-yl)benzoic acidMethyl 2-(methylamino)-5-[(3R)-9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-3-yl]benzoic acidRefChem:112840DTXCID70283085C10639AC1L9DKTCHEBI:2738
Show more names
2-Methylamino-5-(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-b]quinazolin-3-yl)benzoic acid methyl esterBenzoic acid, 2-(methylamino)-5-(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-b]quinazolin-3-yl)-, methyl ester (9CI)
SCHEMBL29561844Q27105793Methyl 2-(methylamino)-5-(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)benzoate
Database identifiers
- CAS
16688-19-0- PubChem CID
- 442884
- DTXSID
DTXSID90331991- ChEBI
CHEBI:2738- Nikkaji
- J15.453I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 605
Chemistry & industry
Additional notes
DefinitionChEBI: Anisotine is a member of quinazolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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