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14028-67-2 | 1-[3,4-Dihydroisoquinoline-2(1H)-yl]ethanone
CAS No: 14028-67-2 Catalog No: AG00AFXP MDL No:MFCD01195301
Product Description
Catalog Number:
AG00AFXP
Chemical Name:
1-[3,4-Dihydroisoquinoline-2(1H)-yl]ethanone
CAS Number:
14028-67-2
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD01195301
IUPAC Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
InChI:
InChI=1S/C11H13NO/c1-9(13)12-7-6-10-4-2-3-5-11(10)8-12/h2-5H,6-8H2,1H3
InChI Key:
JBPPSLURCSFQDH-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1)cccc2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Design and evaluation of fragment-like estrogen receptor tetrahydroisoquinoline ligands from a scaffold-detection approach. | Journal of medicinal chemistry 20110414 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| [Study on the chemical constituents in the volatile oils of the flowers of Tibetan medicine Rhododendron anthopogon]. | Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20100101 |
| Bioactivity-guided mapping and navigation of chemical space. | Nature chemical biology 20090801 |
| Syntheses of NAMDA derivatives inhibiting NO production in BV-2 cells stimulated with lipopolysaccharide. | Bioorganic & medicinal chemistry letters 20050715 |
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