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897359-64-7 | Pyrido[3,2-d]pyrimidin-4(1H)-one, 6-(3,4-dimethoxyphenyl)-2-methyl-
CAS No: 897359-64-7 Catalog No: AG0041B9 MDL No:
Product Description
Catalog Number:
AG0041B9
Chemical Name:
Pyrido[3,2-d]pyrimidin-4(1H)-one, 6-(3,4-dimethoxyphenyl)-2-methyl-
CAS Number:
897359-64-7
Molecular Formula:
C16H15N3O3
Molecular Weight:
297.3086
IUPAC Name:
6-(3,4-dimethoxyphenyl)-2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C16H15N3O3/c1-9-17-12-6-5-11(19-15(12)16(20)18-9)10-4-7-13(21-2)14(8-10)22-3/h4-8H,1-3H3,(H,17,18,20)
InChI Key:
STBXNNVWAREBMQ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1ccc2c(n1)c(=O)nc([nH]2)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.314g/mol
Monoisotopic Mass:
297.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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