3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-
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Basic information
- CAS
40119-27-5- Standard SMILES
CC(C)C1C(=O)NC(c2ccc(N)cc2)c2ccccc21- InChIKey
VAVWHOYMACWEOI-UHFFFAOYSA-N- Molecular formula
- C18H20N2O
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.15756327
Names & identifiers
- Preferred name
- 3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-
- IUPAC
- 1-(4-aminophenyl)-4-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one
Names & synonyms
40119-27-53(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-RefChem:1065438BRN 04200031,4-Dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-3(2H)-isoquinolinoneNSC3067835-22-13-00149 (Beilstein Handbook Reference)CHEMBL3277834SCHEMBL11841566DTXSID30960562VAVWHOYMACWEOI-UHFFFAOYSA-NNSC 306783
Show more names
NSC-3067831-(4'-aminophenyl)-1,4-dihydro-4-isopropyl-3(2H)-isoquinolinone1-(4-Aminophenyl)-4-(propan-2-yl)-1,4-dihydroisoquinolin-3-ol
Database identifiers
- CAS
40119-27-5- PubChem CID
- 100006
- ChEMBL
CHEMBL3277834
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Related reactions
2 records
Compound notes
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