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141388-65-0 | 3-Quinolinecarboxylic acid, 7-(3-aminohexahydro-1H-azepin-1-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
CAS No: 141388-65-0 Catalog No: AG001GBI MDL No:
Product Description
Catalog Number:
AG001GBI
Chemical Name:
3-Quinolinecarboxylic acid, 7-(3-aminohexahydro-1H-azepin-1-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
CAS Number:
141388-65-0
Molecular Formula:
C19H22FN3O3
Molecular Weight:
359.3947
IUPAC Name:
7-(3-aminoazepan-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C19H22FN3O3/c20-15-7-13-16(8-17(15)22-6-2-1-3-11(21)9-22)23(12-4-5-12)10-14(18(13)24)19(25)26/h7-8,10-12H,1-6,9,21H2,(H,25,26)
InChI Key:
MNMPQDIVOLKXTL-UHFFFAOYSA-N
SMILES:
NC1CCCCN(C1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.165g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
359.401g/mol
Monoisotopic Mass:
359.165g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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