Basic information
- Standard SMILES
CC(C)N1CCN(c2cccc(-c3nc4cc(F)cc(F)c4c(=O)[nH]3)n2)CC1- InChIKey
KQSLLCFPMUKIGM-UHFFFAOYSA-N- Molecular formula
- C20H21F2N5O
- Average molar mass
- 385.4 g/mol
Names & identifiers
- Preferred name
- 5,7-Difluoro-2-(6-(4-isopropylpiperazin-1-yl)pyridin-2-yl)quinazolin-4(3H)-one
- IUPAC
- 5,7-difluoro-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-3H-quinazolin-4-one
Names & synonyms
SCHEMBL15709618KQSLLCFPMUKIGM-UHFFFAOYSA-N5,7-Difluoro-2-(6-(4-isopropylpiperazin-1-yl)pyridin-2-yl)quinazolin-4(3H)-one
Database identifiers
- PubChem CID
- 136408151
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 607
Related reactions
2 records
Compound notes
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