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Home > Indoles and Oxindole > 35118-14-0
35118-14-0 | 6',7'-dimethoxy-3',4'-dihydro-2'H-spiro[indole-3,1'-isoquinolin]-2(1H)-one
CAS No: 35118-14-0 Catalog No: AG018GPP MDL No:MFCD00089605
Product Description
Catalog Number:
AG018GPP
Chemical Name:
6',7'-dimethoxy-3',4'-dihydro-2'H-spiro[indole-3,1'-isoquinolin]-2(1H)-one
CAS Number:
35118-14-0
Molecular Formula:
C18H18N2O3
Molecular Weight:
310.3471
MDL Number:
MFCD00089605
IUPAC Name:
6',7'-dimethoxyspiro[1H-indole-3,1'-3,4-dihydro-2H-isoquinoline]-2-one
InChI:
InChI=1S/C18H18N2O3/c1-22-15-9-11-7-8-19-18(13(11)10-16(15)23-2)12-5-3-4-6-14(12)20-17(18)21/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,21)
InChI Key:
DPPDBBGIRZGZKC-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCNC12C(=O)Nc2c1cccc2
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.353g/mol
Monoisotopic Mass:
310.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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