6-Fluoro-1-methyl-7-(morpholin-4-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

HCID 12944911

Notes Reactions

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Basic information

CAS: 70459-08-4
Standard SMILES: Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21
InChIKey: IPOXFGCXYRJVGA-UHFFFAOYSA-N
Molecular formula: C15H15FN2O4
Average molar mass: 306.29 g/mol
Monoisotopic mass: 306.10158518

Names & identifiers

Preferred name: 6-Fluoro-1-methyl-7-(morpholin-4-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC: 6-fluoro-1-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid

Names & synonyms

70459-08-46-fluoro-1-methyl-7-(morpholin-4-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acidMFCD147290516-fluoro-1-methyl-7-morpholino-4-oxo-1,4-dihydroquinoline-3-carboxylic acidSCHEMBL11396870IPOXFGCXYRJVGA-UHFFFAOYSA-NDTXSID201133797STL112272AKOS001777763BS-3721CS-0322591F5577-0021

Show more names

6-fluoro-1-methyl-7-morpholino-4-oxo-quinoline-3-carboxylic acid6-fluoro-1-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid6-Fluoro-1,4-dihydro-1-methyl-7-(4-morpholinyl)-4-oxo-3-quinolinecarboxylic acid6-fluoro-1-methyl-7-(morpholin-4-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylicacid6-fluoro-1-methyl-7-morpholino-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Database identifiers

CAS: 70459-08-4
PubChem CID: 12944911
DTXSID: DTXSID201133797

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 70.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 504

Related reactions

2 records

New reaction record

HRID 1134568As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1578273As productuspto-grants-1981_09

Compound notes

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