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829666-53-7 | 6-Quinolinecarboxamide, N,N-diethyl-7-hydroxy-8-iodo-
CAS No: 829666-53-7 Catalog No: AG004YIX MDL No:
Product Description
Catalog Number:
AG004YIX
Chemical Name:
6-Quinolinecarboxamide, N,N-diethyl-7-hydroxy-8-iodo-
CAS Number:
829666-53-7
Molecular Formula:
C14H15IN2O2
Molecular Weight:
370.1856
IUPAC Name:
N,N-diethyl-7-hydroxy-8-iodoquinoline-6-carboxamide
InChI:
InChI=1S/C14H15IN2O2/c1-3-17(4-2)14(19)10-8-9-6-5-7-16-12(9)11(15)13(10)18/h5-8,18H,3-4H2,1-2H3
InChI Key:
WBDIBXREEWMVNL-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1cc2cccnc2c(c1O)I)CC
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.19g/mol
Monoisotopic Mass:
370.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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