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Home > Quinoline > 714213-80-6
714213-80-6 | 6'-methyl-5',6'-dihydrospiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline]-1',2'-dione
CAS No: 714213-80-6 Catalog No: AG018WPE MDL No:
Product Description
Catalog Number:
AG018WPE
Chemical Name:
6'-methyl-5',6'-dihydrospiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline]-1',2'-dione
CAS Number:
714213-80-6
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
IUPAC Name:
9-methylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11,1'-cyclohexane]-2,3-dione
InChI:
InChI=1S/C17H19NO2/c1-11-10-17(8-3-2-4-9-17)18-14-12(11)6-5-7-13(14)15(19)16(18)20/h5-7,11H,2-4,8-10H2,1H3
InChI Key:
MFSLIBUEKHTVDK-UHFFFAOYSA-N
SMILES:
CC1CC2(CCCCC2)N2c3c1cccc3C(=O)C2=O
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| 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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