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  2. 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid;dihydrate

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid;dihydrate

CNC1CCCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1.O.O Request for Quotation
Chemical Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid;dihydrate
CAS Number: 151060-21-8
Product Number: AG001N1P(AGN-PC-0H7O5C)
Synonyms:
MDL No:
Molecular Formula: C20H28FN3O6
Molecular Weight: 425.4512

Identification/Properties

Computed Properties
Molecular Weight:
425.457g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
5
Exact Mass:
425.196g/mol
Monoisotopic Mass:
425.196g/mol
Topological Polar Surface Area:
84.1A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
668
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidinyl]-4-oxo-, hydrate (1:2) is a versatile compound that finds extensive applications in chemical synthesis. This compound serves as a key building block in the creation of various pharmaceutical agents and biologically active molecules due to its unique structure and functional groups. In chemical synthesis, this hydrate derivative plays a crucial role in the development of novel drug candidates through the modification and transformation of its molecular structure. Its incorporation in synthetic pathways enables the synthesis of diverse derivatives with enhanced pharmacological properties and potential therapeutic benefits.