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18631-04-4 | 1(2H)-ISOQUINOLINONE, 3-(4-METHYL-1-PIPERAZINYL)-
CAS No: 18631-04-4 Catalog No: AG01BSRE MDL No:MFCD03447776
Product Description
Catalog Number:
AG01BSRE
Chemical Name:
1(2H)-ISOQUINOLINONE, 3-(4-METHYL-1-PIPERAZINYL)-
CAS Number:
18631-04-4
Molecular Formula:
C14H17N3O
Molecular Weight:
243.3043
MDL Number:
MFCD03447776
IUPAC Name:
3-(4-methylpiperazin-1-yl)-2H-isoquinolin-1-one
InChI:
InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)13-10-11-4-2-3-5-12(11)14(18)15-13/h2-5,10H,6-9H2,1H3,(H,15,18)
InChI Key:
HBHDAKJJVDSXKU-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cc2ccccc2c(=O)[nH]1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.31g/mol
Monoisotopic Mass:
243.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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