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147637-08-9 | 1-Butanone, 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-4-(4-aminophenyl)-
CAS No: 147637-08-9 Catalog No: AG001F1N MDL No:
Product Description
Catalog Number:
AG001F1N
Chemical Name:
1-Butanone, 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-4-(4-aminophenyl)-
CAS Number:
147637-08-9
Molecular Formula:
C24H30N6O3
Molecular Weight:
450.5334
IUPAC Name:
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-(4-aminophenyl)butan-1-one
InChI:
InChI=1S/C24H30N6O3/c1-32-20-14-18-19(15-21(20)33-2)27-24(28-23(18)26)30-12-10-29(11-13-30)22(31)5-3-4-16-6-8-17(25)9-7-16/h6-9,14-15H,3-5,10-13,25H2,1-2H3,(H2,26,27,28)
InChI Key:
RWIRGMFTSRJUKZ-UHFFFAOYSA-N
SMILES:
COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)CCCc1ccc(cc1)N
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.238g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
450.543g/mol
Monoisotopic Mass:
450.238g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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