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188690-15-5 | 5-Quinazolinecarboxylic acid, 2-[1,1'-biphenyl]-4-yl-3,4-dihydro-4-oxo-
CAS No: 188690-15-5 Catalog No: AG002H5U MDL No:
Product Description
Catalog Number:
AG002H5U
Chemical Name:
5-Quinazolinecarboxylic acid, 2-[1,1'-biphenyl]-4-yl-3,4-dihydro-4-oxo-
CAS Number:
188690-15-5
Molecular Formula:
C21H14N2O3
Molecular Weight:
342.3475
IUPAC Name:
4-oxo-2-(4-phenylphenyl)-3H-quinazoline-5-carboxylic acid
InChI:
InChI=1S/C21H14N2O3/c24-20-18-16(21(25)26)7-4-8-17(18)22-19(23-20)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H,25,26)(H,22,23,24)
InChI Key:
JQZYIMXYCWAUED-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1c(=O)[nH]c(n2)c1ccc(cc1)c1ccccc1
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.1g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.354g/mol
Monoisotopic Mass:
342.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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