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124668-01-5 | 3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-
CAS No: 124668-01-5 Catalog No: AG000ML0 MDL No:
Product Description
Catalog Number:
AG000ML0
Chemical Name:
3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-
CAS Number:
124668-01-5
Molecular Formula:
C16H14F2N2O4
Molecular Weight:
336.2902
IUPAC Name:
1-cyclopropyl-6,8-difluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C16H14F2N2O4/c17-11-3-9-13(12(18)14(11)19-4-8(21)5-19)20(7-1-2-7)6-10(15(9)22)16(23)24/h3,6-8,21H,1-2,4-5H2,(H,23,24)
InChI Key:
NCMNCUSDKZJEKW-UHFFFAOYSA-N
SMILES:
OC1CN(C1)c1c(F)cc2c(c1F)n(cc(c2=O)C(=O)O)C1CC1
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.092g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.295g/mol
Monoisotopic Mass:
336.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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