HX-CH 44BS
Basic information
- CAS
83722-14-9- Standard SMILES
COc1ccc2nc(-c3ccc(OCC(O)CNC(C)(C)C)cc3)n(C)c(=O)c2c1- InChIKey
NJLURZOPCFJTSE-UHFFFAOYSA-N- Molecular formula
- C23H29N3O4
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.21580641
Overview
structure given in first source; RN given refers to (+-) - isomer
Names & identifiers
- Preferred name
- HX-CH 44BS
- IUPAC
- 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one
- English name
- HX-CH 44BS
- Molecular formula
- C23H29N3O4
- Molecular weight
- 0
Names & synonyms
HX-CH 44BS95893-19-9HX-CH 44 BSHX-CH-44-BSRefChem:92309683722-14-92-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one2-(4-(3-(tert-Butylamino)-2-hydroxypropoxy)phenyl)-3-methyl-6-methoxy-4(3H)-quinazolinone2-(4-(2-Hydroxy-3-tert-butylamino-propoxy)phenyl)-3-methyl-6-methoxy-3,4-dihydroquinazolin-4-o4(3H)-Quinazolinone, 2-(4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-6-methoxy-3-methyl-CHEMBL1824263CHEMBL2068824
Show more names
2-(4-(3-(Tert-Butylamino)-2-Hydroxypropoxy)Phenyl)-3- Methyl -6-Methoxy-4(3H)-Quinazolinone
SCHEMBL10760414DTXSID00914759NJLURZOPCFJTSE-UHFFFAOYSA-NBDBM503521132-{4-[3-(tert-Butylamino)-2-hydroxypropoxy]phenyl}-6-methoxy-3-methylquinazolin-4(3H)-one2-[4-(2-Hydroxy-3-tert. butylamino-propoxy)-phenyl]-3-methyl-6-methoxy-3,4-dihydro-quinazolin-4-one4(3H)-Quinazolinone, 2-(4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-6-methoxy-3-methyl-, (+-)-
Database identifiers
- CAS
83722-14-9、95893-19-9- PubChem CID
- 63180
- DTXSID
DTXSID00914759- ChEMBL
CHEMBL1824263、CHEMBL2068824
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 610
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Related reactions
1 records
Compound notes
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