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83-58-9 | 2(1H)-Quinolinone,3-[(2R)-2-hydroxy-3-methylbutyl]-4,8-dimethoxy-1-methyl-
CAS No: 83-58-9 Catalog No: AG008IX9 MDL No:
Product Description
Catalog Number:
AG008IX9
Chemical Name:
2(1H)-Quinolinone,3-[(2R)-2-hydroxy-3-methylbutyl]-4,8-dimethoxy-1-methyl-
CAS Number:
83-58-9
Molecular Formula:
C17H23NO4
Molecular Weight:
305.3688
IUPAC Name:
3-[(2R)-2-hydroxy-3-methylbutyl]-4,8-dimethoxy-1-methylquinolin-2-one
InChI:
InChI=1S/C17H23NO4/c1-10(2)13(19)9-12-16(22-5)11-7-6-8-14(21-4)15(11)18(3)17(12)20/h6-8,10,13,19H,9H2,1-5H3/t13-/m1/s1
InChI Key:
VRMGQDHQTYUISY-CYBMUJFWSA-N
SMILES:
COc1c(C[C@H](C(C)C)O)c(=O)n(c2c1cccc2OC)C
UNII:
2LL4O86GNH
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
305.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.374g/mol
Monoisotopic Mass:
305.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Lunacridine from Lunasia amara is a DNA intercalating topoisomerase II inhibitor. | Journal of ethnopharmacology 20070119 |
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