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Home > Indoles and Oxindole > 920513-64-0
920513-64-0 | 1H-Indole-2-carboxamide, 2,3-dihydro-N-6-isoquinolinyl-
CAS No: 920513-64-0 Catalog No: AG006DON MDL No:
Product Description
Catalog Number:
AG006DON
Chemical Name:
1H-Indole-2-carboxamide, 2,3-dihydro-N-6-isoquinolinyl-
CAS Number:
920513-64-0
Molecular Formula:
C18H15N3O
Molecular Weight:
289.3312
IUPAC Name:
N-isoquinolin-6-yl-2,3-dihydro-1H-indole-2-carboxamide
InChI:
InChI=1S/C18H15N3O/c22-18(17-10-13-3-1-2-4-16(13)21-17)20-15-6-5-14-11-19-8-7-12(14)9-15/h1-9,11,17,21H,10H2,(H,20,22)
InChI Key:
MSXBQVQOLXMZAX-UHFFFAOYSA-N
SMILES:
O=C(C1Cc2c(N1)cccc2)Nc1ccc2c(c1)ccnc2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.338g/mol
Monoisotopic Mass:
289.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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