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1417793-52-2 | 1-Isoquinolinecarboxamide, N-3-piperidinyl-, hydrochloride (1:1)
CAS No: 1417793-52-2 Catalog No: AG001H41 MDL No:MFCD22631643
Product Description
Catalog Number:
AG001H41
Chemical Name:
1-Isoquinolinecarboxamide, N-3-piperidinyl-, hydrochloride (1:1)
CAS Number:
1417793-52-2
Molecular Formula:
C15H18ClN3O
Molecular Weight:
291.7759
MDL Number:
MFCD22631643
IUPAC Name:
N-piperidin-3-ylisoquinoline-1-carboxamide;hydrochloride
InChI:
InChI=1S/C15H17N3O.ClH/c19-15(18-12-5-3-8-16-10-12)14-13-6-2-1-4-11(13)7-9-17-14;/h1-2,4,6-7,9,12,16H,3,5,8,10H2,(H,18,19);1H
InChI Key:
UHUYPFPSMPHASK-UHFFFAOYSA-N
SMILES:
O=C(c1nccc2c1cccc2)NC1CCCNC1.Cl
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
291.779g/mol
Monoisotopic Mass:
291.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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