4-Amino-6-[3-[(2-amino-1-oxopentyl)amino]-1-pyrrolidinyl]-5-fluoro-3-oxo-3H-pyrido[3,2,1-kl]phenoxazine-2-carboxylic acid
Basic information
- CAS
161886-62-0- Standard SMILES
CCCC(N)C(=O)NC1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn4c3c2Oc2ccccc2-4)C1- InChIKey
OHUUCUWAQAYZCW-UHFFFAOYSA-N- Molecular formula
- C25H26FN5O5
- Average molar mass
- 495.5 g/mol
- Monoisotopic mass
- 495.19179711
Names & identifiers
- Preferred name
- 4-Amino-6-[3-[(2-amino-1-oxopentyl)amino]-1-pyrrolidinyl]-5-fluoro-3-oxo-3H-pyrido[3,2,1-kl]phenoxazine-2-carboxylic acid
- IUPAC
- 12-amino-10-[3-(2-aminopentanoylamino)pyrrolidin-1-yl]-11-fluoro-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxylic acid
Names & synonyms
CHEMBL531494DTXSID501104872161886-62-04-Amino-6-[3-[(2-amino-1-oxopentyl)amino]-1-pyrrolidinyl]-5-fluoro-3-oxo-3H-pyrido[3,2,1-kl]phenoxazine-2-carboxylic acid
Database identifiers
- CAS
161886-62-0- PubChem CID
- 44522372
- DTXSID
DTXSID501104872- ChEMBL
CHEMBL531494
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 933
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Compound notes
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