Basic information
- CAS
63827-50-9- Standard SMILES
COc1nc(N)c2c3c([nH]c2c1C#N)C(C)(C)c1ccccc1N3C- InChIKey
PNOAPISGSJTERD-UHFFFAOYSA-N- Molecular formula
- C19H19N5O
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.15896025
Names & identifiers
- Preferred name
- 1-Amino-3-methoxy-6,6,11-trimethyl-6,11-dihydro-5H-pyrido(3',4':4,5)pyrrolo(3,2-b)quinoline-4-carbonitrile
- IUPAC
- 12-amino-14-methoxy-2,2,9-trimethyl-9,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,11,13,15-heptaene-15-carbonitrile
Names & synonyms
63827-50-9NSC3055201-Amino-3-methoxy-6,6,11-trimethyl-6,11-dihydro-5H-pyrido(3',4':4,5)pyrrolo(3,2-b)quinoline-4-carbonitrileNSC 305520NSC-3055201-Amino-3-methoxy-6,6,11-trimethyl-6,11-dihydro-5H-pyrido[3',4':4,5]pyrrolo[3,2-b]quinoline-4-carbonitrileR3FF7776DSDTXSID20213271amino-methoxy-trimethyl-[?]carbonitrileDS-00038612-amino-14-methoxy-2,2,9-trimethyl-9,13,17-triazatetracyclo[8.7.0.0{3,8}.0{11,16}]heptadeca-1(10),3,5,7,11,13,15-heptaene-15-carbonitrile5H-Pyrido[3',4':4,5]pyrrolo[3,2-b]quinoline-4-carbonitrile, 1-amino-6,11-dihydro-3-methoxy-6,6,11-trimethyl-
Show more names
5H-pyrido[3,4:4,5]pyrrolo[3,2-b]quinoline-4-carbonitrile,1-amino-6,11-dihydro-3-methoxy-6,6,11-trimethyl-
Database identifiers
- CAS
63827-50-9
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 571
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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