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15644-80-1

15644-80-1 | 2,8-Dimethyl-4-hydroxyquinoline

CAS No: 15644-80-1 Catalog No: AG00389Y MDL No:MFCD00100264

Product Description

Catalog Number:
AG00389Y
Chemical Name:
2,8-Dimethyl-4-hydroxyquinoline
CAS Number:
15644-80-1
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD00100264
IUPAC Name:
2,8-dimethyl-1H-quinolin-4-one
InChI:
InChI=1S/C11H11NO/c1-7-4-3-5-9-10(13)6-8(2)12-11(7)9/h3-6H,1-2H3,(H,12,13)
InChI Key:
QUHJYDMHDWSZIP-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c2c(n1)c(C)ccc2
NSC Number:
31466

Properties

Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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