Basic information
- Standard SMILES
Nc1nc(N)c2c(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)cccc2n1- InChIKey
YVHSNTRLHQDYNK-UHFFFAOYSA-N- Molecular formula
- C20H20N6O3
- Average molar mass
- 392.4 g/mol
Names & identifiers
- Preferred name
- Benzo[1,3]dioxol-5-yl-[4-(2,4-diamino-quinazolin-5-yl)-piperazin-1-yl]-methanone
- IUPAC
- 1,3-benzodioxol-5-yl-[4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]methanone
Names & synonyms
SCHEMBL2166078YVHSNTRLHQDYNK-UHFFFAOYSA-NBenzo[1,3]dioxol-5-yl-[4-(2,4-diamino-quinazolin-5-yl)-piperazin-1-yl]-methanone
Database identifiers
- PubChem CID
- 25005573
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 601
Related reactions
2 records
Compound notes
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