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120075-51-6 | 4(3H)-Quinazolinone, 6-methoxy-5-(phenylmethoxy)-
CAS No: 120075-51-6 Catalog No: AG000Q8N MDL No:
Product Description
Catalog Number:
AG000Q8N
Chemical Name:
4(3H)-Quinazolinone, 6-methoxy-5-(phenylmethoxy)-
CAS Number:
120075-51-6
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
IUPAC Name:
6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one
InChI:
InChI=1S/C16H14N2O3/c1-20-13-8-7-12-14(16(19)18-10-17-12)15(13)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18,19)
InChI Key:
GIHADOFXEZJQGX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OCc1ccccc1)c(=O)[nH]cn2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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