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115751-48-9 | 2-Butenamide, N-(3,4-dihydro-4-oxo-2-quinazolinyl)-
CAS No: 115751-48-9 Catalog No: AG000GUA MDL No:
Product Description
Catalog Number:
AG000GUA
Chemical Name:
2-Butenamide, N-(3,4-dihydro-4-oxo-2-quinazolinyl)-
CAS Number:
115751-48-9
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
N-(4-oxo-3H-quinazolin-2-yl)but-2-enamide
InChI:
InChI=1S/C12H11N3O2/c1-2-5-10(16)14-12-13-9-7-4-3-6-8(9)11(17)15-12/h2-7H,1H3,(H2,13,14,15,16,17)
InChI Key:
IXSQKNWQPFQTSZ-UHFFFAOYSA-N
SMILES:
CC=CC(=O)Nc1nc2ccccc2c(=O)[nH]1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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