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Home > Quinoline > 100717-76-8
100717-76-8 | 2(1H)-Quinolinone, 3-butyl-4-hydroxy-1-methyl-
CAS No: 100717-76-8 Catalog No: AG0002PJ MDL No:
Product Description
Catalog Number:
AG0002PJ
Chemical Name:
2(1H)-Quinolinone, 3-butyl-4-hydroxy-1-methyl-
CAS Number:
100717-76-8
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
3-butyl-4-hydroxy-1-methylquinolin-2-one
InChI:
InChI=1S/C14H17NO2/c1-3-4-7-11-13(16)10-8-5-6-9-12(10)15(2)14(11)17/h5-6,8-9,16H,3-4,7H2,1-2H3
InChI Key:
UGSGKYKRLRQHBS-UHFFFAOYSA-N
SMILES:
CCCCc1c(O)c2ccccc2n(c1=O)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Design, synthesis and antitubercular potency of 4-hydroxyquinolin-2(1H)-ones. | European journal of medicinal chemistry 20170929 |
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