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918474-13-2 | 3H-Pyrrolo[2,3-c]quinoline-1-carboxamide, 4,5-dihydro-4-oxo-
CAS No: 918474-13-2 Catalog No: AG006EVL MDL No:
Product Description
Catalog Number:
AG006EVL
Chemical Name:
3H-Pyrrolo[2,3-c]quinoline-1-carboxamide, 4,5-dihydro-4-oxo-
CAS Number:
918474-13-2
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
IUPAC Name:
4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxamide
InChI:
InChI=1S/C12H9N3O2/c13-11(16)7-5-14-10-9(7)6-3-1-2-4-8(6)15-12(10)17/h1-5,14H,(H2,13,16)(H,15,17)
InChI Key:
VLAODUYCJRGXSA-UHFFFAOYSA-N
SMILES:
NC(=O)c1c[nH]c2c1c1ccccc1[nH]c2=O
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.223g/mol
Monoisotopic Mass:
227.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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