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1320288-17-2 | 4-Quinazolinamine, N-(1-cyclohexyl-4-piperidinyl)-2-[hexahydro-4-(1-methylethyl)-1H-1,4-diazepin-1-yl]-6-methoxy-7-[3-(1-piperidinyl)propoxy]-
CAS No: 1320288-17-2 Catalog No: AG00102F MDL No:MFCD22378486
Product Description
Catalog Number:
AG00102F
Chemical Name:
4-Quinazolinamine, N-(1-cyclohexyl-4-piperidinyl)-2-[hexahydro-4-(1-methylethyl)-1H-1,4-diazepin-1-yl]-6-methoxy-7-[3-(1-piperidinyl)propoxy]-
CAS Number:
1320288-17-2
Molecular Formula:
C36H59N7O2
Molecular Weight:
621.8994
MDL Number:
MFCD22378486
IUPAC Name:
N-(1-cyclohexylpiperidin-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-4-amine
InChI:
InChI=1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39)
InChI Key:
OUKWLRHRXOPODD-UHFFFAOYSA-N
SMILES:
COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C
Properties
Complexity:
845
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
621.473g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
621.915g/mol
Monoisotopic Mass:
621.473g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
Literature
| Title | Journal |
|---|---|
| Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines. | Journal of medicinal chemistry 20110908 |
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