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123160-52-1 | 3-Quinolinecarboxylic acid, 7-(1-aminocyclopropyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
CAS No: 123160-52-1 Catalog No: AG000K41 MDL No:
Product Description
Catalog Number:
AG000K41
Chemical Name:
3-Quinolinecarboxylic acid, 7-(1-aminocyclopropyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
CAS Number:
123160-52-1
Molecular Formula:
C16H15FN2O3
Molecular Weight:
302.3003
IUPAC Name:
7-(1-aminocyclopropyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C16H15FN2O3/c17-12-5-9-13(6-11(12)16(18)3-4-16)19(8-1-2-8)7-10(14(9)20)15(21)22/h5-8H,1-4,18H2,(H,21,22)
InChI Key:
YENCVCNPFMWILK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2)C1(N)CC1)F
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.107g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.305g/mol
Monoisotopic Mass:
302.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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