CID 51928451
PubChem CID
51928451
Structure
Molecular Formula
Status
Non-live
Molecular Weight
419.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-6-methoxy-2-methylquinoline-3-carboxamide
InChI=1S/C25H30N4O2/c1-5-28-10-12-29(13-11-28)20-6-8-23(17(2)14-20)27-25(30)22-16-19-15-21(31-4)7-9-24(19)26-18(22)3/h6-9,14-16H,5,10-13H2,1-4H3,(H,27,30)/p+1
ODTYQQWZKMAWQK-UHFFFAOYSA-O
CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=C(N=C4C=CC(=CC4=C3)OC)C)C
C25H31N4O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
419.5 g/mol
Property Name
XLogP3-AA
Property Value
4.1
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
5
Property Name
Exact Mass
Property Value
419.24470124 g/mol
Property Name
Monoisotopic Mass
Property Value
419.24470124 g/mol
Property Name
Topological Polar Surface Area
Property Value
58.9 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
594
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