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1207-74-5 | 4-Quinolinol, 2-methyl-3-(2-propenyl)-
CAS No: 1207-74-5 Catalog No: AG007PMX MDL No:
Product Description
Catalog Number:
AG007PMX
Chemical Name:
4-Quinolinol, 2-methyl-3-(2-propenyl)-
CAS Number:
1207-74-5
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
2-methyl-3-prop-2-enyl-1H-quinolin-4-one
InChI:
InChI=1S/C13H13NO/c1-3-6-10-9(2)14-12-8-5-4-7-11(12)13(10)15/h3-5,7-8H,1,6H2,2H3,(H,14,15)
InChI Key:
DFPJMRVOZFONNQ-UHFFFAOYSA-N
SMILES:
C=CCc1c(C)nc2c(c1O)cccc2
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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