Basic information
- CAS
64157-51-3- Standard SMILES
CC(=O)Nc1ncc2ccccc2c1-c1ccc(NC(=O)CN(CCO)CCO)cc1- InChIKey
QUDQMWBRFUVNLH-UHFFFAOYSA-N- Molecular formula
- C23H26N4O4
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.19540532
Names & identifiers
- Preferred name
- N-(4-(3-(Acetylamino)-4-isoquinolinyl)phenyl)-2-(bis(2-hydroxyethyl)amino)acetamide
- IUPAC
- N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-2-[bis(2-hydroxyethyl)amino]acetamide
Names & synonyms
PUK10VOH5964157-51-3N-(4-(3-(Acetylamino)-4-isoquinolinyl)phenyl)-2-(bis(2-hydroxyethyl)amino)acetamideUNII-PUK10VOH59NSC 267221NSC-267221DTXSID40214366ACETAMIDE, N-(4-(3-(ACETYLAMINO)-4-ISOQUINOLINYL)PHENYL)-2-(BIS(2-HYDROXYETHYL)AMINO)-RefChem:162041DTXCID40136857NSC267221N-[4-(3-acetamido-4-isoquinolyl)phenyl]-2-[bis(2-hydroxyethyl)amino]acetamide
Show more names
N-[4-(3-Acetamidoisoquinolin-4-yl)phenyl]-N~2~,N~2~-bis(2-hydroxyethyl)glycinamide
Database identifiers
- CAS
64157-51-3- PubChem CID
- 320282
- DTXSID
DTXSID40214366- UNII
- PUK10VOH59
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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