CID 40604878
PubChem CID
40604878
Structure
Molecular Formula
Status
Non-live
Molecular Weight
320.4 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
8-methyl-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxylate
InChI=1S/C20H19NO3/c1-12(2)24-18-10-5-4-8-15(18)17-11-16(20(22)23)14-9-6-7-13(3)19(14)21-17/h4-12H,1-3H3,(H,22,23)/p-1
JAILAWFRZPFHAT-UHFFFAOYSA-M
CC1=C2C(=CC=C1)C(=CC(=N2)C3=CC=CC=C3OC(C)C)C(=O)[O-]
C20H18NO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
320.4 g/mol
Property Name
XLogP3-AA
Property Value
5.2
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
3
Property Name
Exact Mass
Property Value
320.12866844 g/mol
Property Name
Monoisotopic Mass
Property Value
320.12866844 g/mol
Property Name
Topological Polar Surface Area
Property Value
62.3 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
433
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