An official website of the United States government

CID 40466763

PubChem CID
40466763
Structure
CID 40466763_small.png
Molecular Formula
Status
Non-live
Molecular Weight
306.3 g/mol
Dates
  • Create:
    2009-05-30

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 40466763.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-methoxyphenyl)-7,8-dimethylquinoline-4-carboxylate

2.1.2 InChI

InChI=1S/C19H17NO3/c1-11-8-9-13-15(19(21)22)10-16(20-18(13)12(11)2)14-6-4-5-7-17(14)23-3/h4-10H,1-3H3,(H,21,22)/p-1

2.1.3 InChIKey

PXZWNCZJTRGNPW-UHFFFAOYSA-M

2.1.4 SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3OC)C(=O)[O-])C

2.2 Molecular Formula

C19H16NO3-

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
306.3 g/mol
Property Name
XLogP3-AA
Property Value
4.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
306.11301837 g/mol
Property Name
Monoisotopic Mass
Property Value
306.11301837 g/mol
Property Name
Topological Polar Surface Area
Property Value
62.3 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
421
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