An official website of the United States government

CID 46552026

PubChem CID
46552026
Structure
CID 46552026_small.png
Molecular Formula
Status
Non-live
Molecular Weight
334.4 g/mol
Dates
  • Create:
    2010-07-23

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 46552026.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[2-(ethylamino)-2-oxoethyl]-2-pyridin-4-ylquinoline-4-carboxamide

2.1.2 InChI

InChI=1S/C19H18N4O2/c1-2-21-18(24)12-22-19(25)15-11-17(13-7-9-20-10-8-13)23-16-6-4-3-5-14(15)16/h3-11H,2,12H2,1H3,(H,21,24)(H,22,25)

2.1.3 InChIKey

UVALMLIUFVAEPA-UHFFFAOYSA-N

2.1.4 SMILES

CCNC(=O)CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3

2.2 Molecular Formula

C19H18N4O2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
334.4 g/mol
Property Name
XLogP3-AA
Property Value
1.8
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
334.14297583 g/mol
Property Name
Monoisotopic Mass
Property Value
334.14297583 g/mol
Property Name
Topological Polar Surface Area
Property Value
84 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
464
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

5 Information Sources

CONTENTS