2-Amino-1-(3-bromophenyl)-4-(9-methylcarbazol-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Basic information
- CAS
515830-84-9- Standard SMILES
Cn1c2ccccc2c2cc(C3C(C#N)=C(N)N(c4cccc(Br)c4)C4=C3C(=O)CCC4)ccc21- InChIKey
WGMITIAYOSRYRP-UHFFFAOYSA-N- Molecular formula
- C29H23BrN4O
- Average molar mass
- 523.4 g/mol
- Monoisotopic mass
- 522.10552
Names & identifiers
- Preferred name
- 2-Amino-1-(3-bromophenyl)-4-(9-methylcarbazol-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 2-amino-1-(3-bromophenyl)-4-(9-methylcarbazol-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- 2-amino-1-(3-bromophenyl)-4-(9-methyl-9H-carbazol-3-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- Molecular formula
- C29H23BrN4O
- Molecular weight
- 523.42312
Names & synonyms
2-amino-1-(3-bromophenyl)-4-(9-methylcarbazol-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile2-amino-1-(3-bromophenyl)-4-(9-methyl-9H-carbazol-3-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrileOprea1_806166AK-968/409398032-amino-1-(3-bromophenyl)-4-(9-methyl-9H-carbazol-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileSTL172978AKOS003796670515830-84-9
Database identifiers
- CAS
515830-84-9- PubChem CID
- 3560247
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 994
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