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1888-01-3 | 3-ethyl-2-methylquinolin-4-ol
CAS No: 1888-01-3 Catalog No: AG01A4ZO MDL No:MFCD12820099
Product Description
Catalog Number:
AG01A4ZO
Chemical Name:
3-ethyl-2-methylquinolin-4-ol
CAS Number:
1888-01-3
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD12820099
IUPAC Name:
3-ethyl-2-methyl-1H-quinolin-4-one
InChI:
InChI=1S/C12H13NO/c1-3-9-8(2)13-11-7-5-4-6-10(11)12(9)14/h4-7H,3H2,1-2H3,(H,13,14)
InChI Key:
UUDYPKCYYIOUJD-UHFFFAOYSA-N
SMILES:
CCc1c(C)nc2c(c1O)cccc2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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