CID 33079012
PubChem CID
33079012
Structure
Molecular Formula
Status
Non-live
Molecular Weight
391.5 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
6-methoxy-2-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]quinoline-3-carboxamide
InChI=1S/C23H26N4O2/c1-16-21(15-17-14-20(29-3)8-9-22(17)24-16)23(28)25-18-4-6-19(7-5-18)27-12-10-26(2)11-13-27/h4-9,14-15H,10-13H2,1-3H3,(H,25,28)/p+1
BHIMPXGMNWNFJB-UHFFFAOYSA-O
CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C
C23H27N4O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
391.5 g/mol
Property Name
XLogP3-AA
Property Value
3.3
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
391.21340112 g/mol
Property Name
Monoisotopic Mass
Property Value
391.21340112 g/mol
Property Name
Topological Polar Surface Area
Property Value
58.9 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
543
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
Old substance
Old substance
CONTENTS