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88328-42-1 | Butanamide, 3,3-dimethyl-N-[5-(1H-pyrrol-1-yl)-6-quinolinyl]-
CAS No: 88328-42-1 Catalog No: AG0047FN MDL No:
Product Description
Catalog Number:
AG0047FN
Chemical Name:
Butanamide, 3,3-dimethyl-N-[5-(1H-pyrrol-1-yl)-6-quinolinyl]-
CAS Number:
88328-42-1
Molecular Formula:
C19H21N3O
Molecular Weight:
307.3895
IUPAC Name:
3,3-dimethyl-N-(5-pyrrol-1-ylquinolin-6-yl)butanamide
InChI:
InChI=1S/C19H21N3O/c1-19(2,3)13-17(23)21-16-9-8-15-14(7-6-10-20-15)18(16)22-11-4-5-12-22/h4-12H,13H2,1-3H3,(H,21,23)
InChI Key:
KAADKXZEEBLYCM-UHFFFAOYSA-N
SMILES:
O=C(CC(C)(C)C)Nc1ccc2c(c1n1cccc1)cccn2
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.397g/mol
Monoisotopic Mass:
307.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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