Basic information
- CAS
112811-75-3- Standard SMILES
CNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1- InChIKey
ITLUJXOWXJGURR-UHFFFAOYSA-N- Molecular formula
- C20H24FN3O4
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.17508442
Names & identifiers
- Preferred name
- 1-Cyclopropyl-6-fluoro-8-methoxy-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-Methoxy-7-[3-[(MethylaMino)Methyl]-1-pyrrolidinyl]-4-oxo-
- Molecular formula
- C20H24FN3O4
- Molecular weight
- 389.42
Names & synonyms
112811-75-31-cyclopropyl-6-fluoro-8-methoxy-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-((methylamino)methyl)pyrrolidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acidITLUJXOWXJGURR-UHFFFAOYSA-N3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo-SCHEMBL9373032DTXSID309209091-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylaminomethyl-1-pyrrolidinyl)-4-oxo-3-quinolinecarboxylic acid1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acidAcenocoumarol Impurity 19
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 668
Physicochemical properties
- Boiling point
- 600.4 · 600.4±55.0 °C(Predicted)
- Density
- 1.374 · 1.374±0.06 g/cm3(Predicted)
- pka
- 6.42 · 6.42±0.50(Predicted)
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
Related reactions
3 records
Compound notes
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