CID 40604877
PubChem CID
40604877
Structure
Molecular Formula
Status
Non-live
Molecular Weight
334.4 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
8-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylate
InChI=1S/C21H21NO3/c1-13(2)12-25-16-8-5-7-15(10-16)19-11-18(21(23)24)17-9-4-6-14(3)20(17)22-19/h4-11,13H,12H2,1-3H3,(H,23,24)/p-1
JPYHOZHIYSTSBE-UHFFFAOYSA-M
CC1=C2C(=CC=C1)C(=CC(=N2)C3=CC(=CC=C3)OCC(C)C)C(=O)[O-]
C21H20NO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
334.4 g/mol
Property Name
XLogP3-AA
Property Value
5.7
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
4
Property Name
Exact Mass
Property Value
334.14431850 g/mol
Property Name
Monoisotopic Mass
Property Value
334.14431850 g/mol
Property Name
Topological Polar Surface Area
Property Value
62.3 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
447
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
Old substance
CONTENTS