CID 8584677
PubChem CID
8584677
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
362.4 g/mol
Dates
- Create:2006-07-30
Chemical Structure Depiction
ethyl-bis[(4-oxo-1H-quinazolin-2-yl)methyl]azanium
InChI=1S/C20H19N5O2/c1-2-25(11-17-21-15-9-5-3-7-13(15)19(26)23-17)12-18-22-16-10-6-4-8-14(16)20(27)24-18/h3-10H,2,11-12H2,1H3,(H,21,23,26)(H,22,24,27)/p+1
XZUKICZRKIYHLN-UHFFFAOYSA-O
CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC3=NC(=O)C4=CC=CC=C4N3
C20H20N5O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
362.4 g/mol
Property Name
XLogP3-AA
Property Value
1.6
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
362.16169990 g/mol
Property Name
Monoisotopic Mass
Property Value
362.16169990 g/mol
Property Name
Topological Polar Surface Area
Property Value
87.4 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
605
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