Basic information
- Standard SMILES
COc1cc2ncnc(Cl)c2cc1OCCCN1CCCC1- InChIKey
BXPJFGSJHYDEQD-UHFFFAOYSA-N- Molecular formula
- C16H20ClN3O2
- Average molar mass
- 321.8 g/mol
- Monoisotopic mass
- 321.1244046
Names & identifiers
- Preferred name
- 4-Chloro-7-methoxy-6-(3-pyrrolidin-1-yl-propoxy)-quinazoline
- IUPAC
- 4-chloro-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
Names & synonyms
SCHEMBL3955512BXPJFGSJHYDEQD-UHFFFAOYSA-NDB-3968624-Chloro-7-methoxy-6-(3-pyrrolidin-1-yl-propoxy)-quinazoline4-Chloro-7-methoxy-6-[3-(1-pyrrolidinyl)propoxy]quinazoline884344-39-2
Database identifiers
- PubChem CID
- 86238565
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 47.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 341
Related reactions
2 records
Compound notes
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