Basic information
- CAS
129664-06-8- Standard SMILES
CCCCCOc1nc(N2CCNCC2)nc2ccccc12.O=C(O)/C=C/C(=O)O- InChIKey
HFZPSVLIJHNILU-WLHGVMLRSA-N- Molecular formula
- C21H28N4O5
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.20597001
Names & identifiers
- Preferred name
- Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;4-pentoxy-2-piperazin-1-ylquinazoline
Names & synonyms
Quinazoline, 4-(pentyloxy)-2-(1-piperazinyl)-, (E)-2-butenedioate (1:1)129664-06-8RefChem:10977804-Pentyloxy-2-piperidinoquinazoline fumarate
Database identifiers
- CAS
129664-06-8- PubChem CID
- 6449166
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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