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89151-01-9 | Quinazoline, 4-[4-(3-iodo-1-methylpropyl)-1-piperidinyl]-6,7-dimethoxy-
CAS No: 89151-01-9 Catalog No: AG003XHD MDL No:
Product Description
Catalog Number:
AG003XHD
Chemical Name:
Quinazoline, 4-[4-(3-iodo-1-methylpropyl)-1-piperidinyl]-6,7-dimethoxy-
CAS Number:
89151-01-9
Molecular Formula:
C19H26IN3O2
Molecular Weight:
455.3331
IUPAC Name:
4-[4-(4-iodobutan-2-yl)piperidin-1-yl]-6,7-dimethoxyquinazoline
InChI:
InChI=1S/C19H26IN3O2/c1-13(4-7-20)14-5-8-23(9-6-14)19-15-10-17(24-2)18(25-3)11-16(15)21-12-22-19/h10-14H,4-9H2,1-3H3
InChI Key:
CVKMORMUSQZMLS-UHFFFAOYSA-N
SMILES:
ICCC(C1CCN(CC1)c1ncnc2c1cc(OC)c(c2)OC)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.107g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
455.34g/mol
Monoisotopic Mass:
455.107g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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