Basic information
- Standard SMILES
COc1ccc(-c2cc(Oc3ncnc4cc(OCC5CCN(CCS(C)(=O)=O)CC5)c(OC)cc34)n[nH]2)cc1- InChIKey
XQXJCZQAVUTNBQ-UHFFFAOYSA-N- Molecular formula
- C28H33N5O6S
- Average molar mass
- 567.7 g/mol
Names & identifiers
- Preferred name
- 4-(5-(4-Methoxyphenyl)pyrazol-3-yloxy)-6-methoxy-7-(1-(2-methylsulphonylethyl)piperidin-4-ylmethoxy)quinazoline
- IUPAC
- 6-methoxy-4-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]oxy]-7-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methoxy]quinazoline
Names & synonyms
SCHEMBL5566766XQXJCZQAVUTNBQ-UHFFFAOYSA-N4-(5-(4-methoxyphenyl)pyrazol-3-yloxy)-6-methoxy-7-(1-(2-methylsulphonylethyl)piperidin-4-ylmethoxy)quinazoline
Database identifiers
- PubChem CID
- 9808060
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 877
Related reactions
1 records
Compound notes
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