Basic information
- Standard SMILES
CCOC(=O)c1cn(C2CC2)c2c(F)c(CCc3cc(Cc4cnc(N)nc4N)cc(OC)c3OC)c(F)cc2c1=O- InChIKey
QNPZMBJQUVTBBK-UHFFFAOYSA-N- Molecular formula
- C30H31F2N5O5
- Average molar mass
- 579.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-cyclopropyl-7-[2-[5-(2,4-diamino-pyrimidin-5-yl-methyl)-2,3-dimethoxy-phenyl]ethyl]-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylate
- IUPAC
- ethyl 1-cyclopropyl-7-[2-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylate
Names & synonyms
SCHEMBL7120394QNPZMBJQUVTBBK-UHFFFAOYSA-Nethyl 1-cyclopropyl-7-[2-[5-(2,4-diamino-pyrimidin-5-yl-methyl)-2,3-dimethoxy-phenyl]ethyl]-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylate
Database identifiers
- PubChem CID
- 19081553
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
2 records
Compound notes
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