1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-6-iodo-4-oxo-2-quinazolinyl)methyl)-
Basic information
- CAS
134700-44-0- Standard SMILES
O=C1c2ccccc2C(=O)N1Cc1nc2ccc(I)cc2c(=O)n1-c1ccc(O)c(CN2CCCCC2)c1- InChIKey
XGEKIOXMDOUOJT-UHFFFAOYSA-N- Molecular formula
- C29H25IN4O4
- Average molar mass
- 620.4 g/mol
- Monoisotopic mass
- 620.09205
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-6-iodo-4-oxo-2-quinazolinyl)methyl)-
- IUPAC
- 2-[[3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]-6-iodo-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
Names & synonyms
BRN 47742701H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-6-iodo-4-oxo-2-quinazolinyl)methyl)-134700-44-0DTXSID10158884RefChem:239256DTXCID20813752-[(3-{4-Hydroxy-3-[(piperidin-1-yl)methyl]phenyl}-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
134700-44-0- PubChem CID
- 3077540
- DTXSID
DTXSID10158884
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 944
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…