Home Aminos 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)hexahydro-1H-1,4-diazepin-1-yl]-

1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)hexahydro-1H-1,4-diazepin-1-yl]-

CAS No.:
80755-51-7
Catalog Number:
AG003DTF
Molecular Formula:
C19H27N5O3
Molecular Weight:
373.4494
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Product Description
Catalog Number:
AG003DTF
Chemical Name:
1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)hexahydro-1H-1,4-diazepin-1-yl]-
CAS Number:
80755-51-7
Molecular Formula:
C19H27N5O3
Molecular Weight:
373.4494
MDL Number:
MFCD00865793
IUPAC Name:
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one
InChI:
InChI=1S/C19H27N5O3/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19/h11-12H,4-10H2,1-3H3,(H2,20,21,22)
InChI Key:
RHLJLALHBZGAFM-UHFFFAOYSA-N
SMILES:
CCCC(=O)N1CCCN(CC1)c1nc(N)c2c(n1)cc(c(c2)OC)OC
UNII:
9UUW4V7G2H
Properties
Complexity:
494  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.211g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
373.457g/mol
Monoisotopic Mass:
373.211g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
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