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1417793-08-8 | 1-Isoquinolinecarboxamide, N-3-pyrrolidinyl-, hydrochloride (1:1)
CAS No: 1417793-08-8 Catalog No: AG001H3G MDL No:MFCD22631722
Product Description
Catalog Number:
AG001H3G
Chemical Name:
1-Isoquinolinecarboxamide, N-3-pyrrolidinyl-, hydrochloride (1:1)
CAS Number:
1417793-08-8
Molecular Formula:
C14H16ClN3O
Molecular Weight:
277.7493
MDL Number:
MFCD22631722
IUPAC Name:
N-pyrrolidin-3-ylisoquinoline-1-carboxamide;hydrochloride
InChI:
InChI=1S/C14H15N3O.ClH/c18-14(17-11-6-7-15-9-11)13-12-4-2-1-3-10(12)5-8-16-13;/h1-5,8,11,15H,6-7,9H2,(H,17,18);1H
InChI Key:
ZQNTZKTVNPVZLZ-UHFFFAOYSA-N
SMILES:
O=C(c1nccc2c1cccc2)NC1CNCC1.Cl
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
277.752g/mol
Monoisotopic Mass:
277.098g/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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