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154411-16-2 | N-(1-CYANO-4-OXO-4H-QUINOLIZIN-3-YL)BENZENECARBOXAMIDE
CAS No: 154411-16-2 Catalog No: AG00ACT3 MDL No:MFCD00793861
Product Description
Catalog Number:
AG00ACT3
Chemical Name:
N-(1-CYANO-4-OXO-4H-QUINOLIZIN-3-YL)BENZENECARBOXAMIDE
CAS Number:
154411-16-2
Molecular Formula:
C17H11N3O2
Molecular Weight:
289.2881
MDL Number:
MFCD00793861
IUPAC Name:
N-(1-cyano-4-oxoquinolizin-3-yl)benzamide
InChI:
InChI=1S/C17H11N3O2/c18-11-13-10-14(17(22)20-9-5-4-8-15(13)20)19-16(21)12-6-2-1-3-7-12/h1-10H,(H,19,21)
InChI Key:
LVLHJOFADPSZQM-UHFFFAOYSA-N
SMILES:
N#Cc1cc(NC(=O)c2ccccc2)c(=O)n2c1cccc2
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.294g/mol
Monoisotopic Mass:
289.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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