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18630-98-3 | 3-(morpholin-4-yl)-1,2-dihydroisoquinolin-1-one
CAS No: 18630-98-3 Catalog No: AG019LCW MDL No:MFCD03447775
Product Description
Catalog Number:
AG019LCW
Chemical Name:
3-(morpholin-4-yl)-1,2-dihydroisoquinolin-1-one
CAS Number:
18630-98-3
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD03447775
IUPAC Name:
3-morpholin-4-yl-2H-isoquinolin-1-one
InChI:
InChI=1S/C13H14N2O2/c16-13-11-4-2-1-3-10(11)9-12(14-13)15-5-7-17-8-6-15/h1-4,9H,5-8H2,(H,14,16)
InChI Key:
ZNPFINJPPZRGJT-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(cc2c1cccc2)N1CCOCC1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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