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89150-98-1 | Quinazoline, 4-[4-(iodomethyl)-1-piperidinyl]-6,7-dimethoxy-
CAS No: 89150-98-1 Catalog No: AG003YS8 MDL No:
Product Description
Catalog Number:
AG003YS8
Chemical Name:
Quinazoline, 4-[4-(iodomethyl)-1-piperidinyl]-6,7-dimethoxy-
CAS Number:
89150-98-1
Molecular Formula:
C16H20IN3O2
Molecular Weight:
413.2534
IUPAC Name:
4-[4-(iodomethyl)piperidin-1-yl]-6,7-dimethoxyquinazoline
InChI:
InChI=1S/C16H20IN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-10-19-16(12)20-5-3-11(9-17)4-6-20/h7-8,10-11H,3-6,9H2,1-2H3
InChI Key:
VEDWCRGQIWOKSZ-UHFFFAOYSA-N
SMILES:
ICC1CCN(CC1)c1ncnc2c1cc(OC)c(c2)OC
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.06g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.259g/mol
Monoisotopic Mass:
413.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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