CID 52325838
PubChem CID
52325838
Structure
Molecular Formula
Status
Non-live
Molecular Weight
350.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
4-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxyphenyl)quinazolin-3-ium
InChI=1S/C21H24N4O/c1-3-24-12-14-25(15-13-24)21-18-6-4-5-7-19(18)22-20(23-21)16-8-10-17(26-2)11-9-16/h4-11H,3,12-15H2,1-2H3/p+2
DMRRNSZSXHPJCX-UHFFFAOYSA-P
CC[NH+]1CCN(CC1)C2=[NH+]C(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC
C21H26N4O+2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
350.5 g/mol
Property Name
XLogP3-AA
Property Value
4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
350.21066147 g/mol
Property Name
Monoisotopic Mass
Property Value
350.21066147 g/mol
Property Name
Topological Polar Surface Area
Property Value
43.9 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
2
Property Name
Complexity
Property Value
432
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS