Spiroquinazoline
Basic information
- CAS
157075-58-6- Standard SMILES
C[C@@]12NC(=O)[C@@H](C[C@@]13c1ccccc1N1C(=O)CN[C@@H]13)n1c2nc2ccccc2c1=O- InChIKey
SIIMITFGYHVBGG-FGSBKAERSA-N- Molecular formula
- C23H19N5O3
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 413.14878949
Overview
Spiroquinazoline is a pyridopyrimidine.
Names & identifiers
- Preferred name
- Spiroquinazoline
- IUPAC
- (1R,3'aS,12R,16R)-12-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione
Names & synonyms
Spiroquinazoline6KQ3QJ08FF(1R,3'aS,12R,16R)-12-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione(1R,3'aS,12R,16R)-12-methylspiro(2,10,13-triazatetracyclo(10.2.2.02,11.04,9)hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo(1,2-a)indole)-1',3,14-trioneRefChem:184930157075-58-6CHEMBL515179(-)-SPIROQUINAZOLINESPIROQUINAZOLINE [MI]CHEBI:202235BDBM50292436SPIRO(1,4-ETHANO-2H-PYRAZINO(2,1-B)QUINAZOLINE-13,9'-(9H)IMIDAZO(1,2-A)INDOLE)-3,3',6(1H,2'H,4H)-TRIONE, 1',9'A-DIHYDRO-1-METHYL-, (1R,4R,9'R,9'AS)-REL-(-)-
Show more names
SPIRO(1,4-ETHANO-2H-PYRAZINO(2,1-B)QUINAZOLINE-13,9'-(9H)IMIDAZO(1,2-A)INDOLE)-3,3',6(1H,2'H,4H)-TRIONE, 1',9'A-DIHYDRO-1-METHYL-, (1R-(1.ALPHA.,4.ALPHA.,13R*(S*)))-
Database identifiers
- CAS
157075-58-6
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 934
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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