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89441-35-0 | 3-Quinolinecarboxamide, 4-hydroxy-2-(1-hydroxyethyl)-N-2-thiazolyl-
CAS No: 89441-35-0 Catalog No: AG0043IU MDL No:
Product Description
Catalog Number:
AG0043IU
Chemical Name:
3-Quinolinecarboxamide, 4-hydroxy-2-(1-hydroxyethyl)-N-2-thiazolyl-
CAS Number:
89441-35-0
Molecular Formula:
C15H13N3O3S
Molecular Weight:
315.3470
IUPAC Name:
2-(1-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide
InChI:
InChI=1S/C15H13N3O3S/c1-8(19)12-11(14(21)18-15-16-6-7-22-15)13(20)9-4-2-3-5-10(9)17-12/h2-8,19H,1H3,(H,17,20)(H,16,18,21)
InChI Key:
PFEXQXKIAZCHOZ-UHFFFAOYSA-N
SMILES:
O=C(c1c(nc2c(c1O)cccc2)C(O)C)Nc1nccs1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
315.347g/mol
Monoisotopic Mass:
315.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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