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1620401-82-2 | 4-Quinazolinamine, 6,7-dimethoxy-2-(1-pyrrolidinyl)-N-[5-(1-pyrrolidinyl)pentyl]-
CAS No: 1620401-82-2 Catalog No: AG001SNW MDL No:MFCD28167817
Product Description
Catalog Number:
AG001SNW
Chemical Name:
4-Quinazolinamine, 6,7-dimethoxy-2-(1-pyrrolidinyl)-N-[5-(1-pyrrolidinyl)pentyl]-
CAS Number:
1620401-82-2
Molecular Formula:
C23H35N5O2
Molecular Weight:
413.5563
MDL Number:
MFCD28167817
IUPAC Name:
6,7-dimethoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine
InChI:
InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
InChI Key:
WEXCGGWTIDNVNT-UHFFFAOYSA-N
SMILES:
COc1cc2c(NCCCCCN3CCCC3)nc(nc2cc1OC)N1CCCC1
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.279g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.566g/mol
Monoisotopic Mass:
413.279g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Epigenetic siRNA and Chemical Screens Identify SETD8 Inhibition as a Therapeutic Strategy for p53 Activation in High-Risk Neuroblastoma. | Cancer cell 20170109 |
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