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148238-15-7 | Pyrimido[4,5-b]quinoline-2,4,6,9(3H,10H)-tetrone, 10-hexyl-8-methoxy-
CAS No: 148238-15-7 Catalog No: AG001FJL MDL No:
Product Description
Catalog Number:
AG001FJL
Chemical Name:
Pyrimido[4,5-b]quinoline-2,4,6,9(3H,10H)-tetrone, 10-hexyl-8-methoxy-
CAS Number:
148238-15-7
Molecular Formula:
C18H19N3O5
Molecular Weight:
357.3606
IUPAC Name:
10-hexyl-8-methoxypyrimido[4,5-b]quinoline-2,4,6,9-tetrone
InChI:
InChI=1S/C18H19N3O5/c1-3-4-5-6-7-21-14-10(12(22)9-13(26-2)15(14)23)8-11-16(21)19-18(25)20-17(11)24/h8-9H,3-7H2,1-2H3,(H,20,24,25)
InChI Key:
HZKZULAASDGNSI-UHFFFAOYSA-N
SMILES:
CCCCCCn1c2nc(=O)[nH]c(=O)c2cc2c1c(=O)c(OC)cc2=O
Properties
Complexity:
832
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.132g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.366g/mol
Monoisotopic Mass:
357.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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