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828256-96-8 | 4(1H)-Quinazolinone, 5,6,7-trimethoxy-2-(4-propyl-1-piperidinyl)-
CAS No: 828256-96-8 Catalog No: AG004XLR MDL No:
Product Description
Catalog Number:
AG004XLR
Chemical Name:
4(1H)-Quinazolinone, 5,6,7-trimethoxy-2-(4-propyl-1-piperidinyl)-
CAS Number:
828256-96-8
Molecular Formula:
C19H27N3O4
Molecular Weight:
361.4354
IUPAC Name:
5,6,7-trimethoxy-2-(4-propylpiperidin-1-yl)-3H-quinazolin-4-one
InChI:
InChI=1S/C19H27N3O4/c1-5-6-12-7-9-22(10-8-12)19-20-13-11-14(24-2)16(25-3)17(26-4)15(13)18(23)21-19/h11-12H,5-10H2,1-4H3,(H,20,21,23)
InChI Key:
WXJXHXNLGZGNTB-UHFFFAOYSA-N
SMILES:
CCCC1CCN(CC1)c1nc(=O)c2c([nH]1)cc(c(c2OC)OC)OC
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.2g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.442g/mol
Monoisotopic Mass:
361.2g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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