CID 40424908
PubChem CID
40424908
Structure
Molecular Formula
Status
Non-live
Molecular Weight
326.8 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
7-chloro-2-(4-methoxyphenyl)-8-methylquinoline-4-carboxylate
InChI=1S/C18H14ClNO3/c1-10-15(19)8-7-13-14(18(21)22)9-16(20-17(10)13)11-3-5-12(23-2)6-4-11/h3-9H,1-2H3,(H,21,22)/p-1
BEFGVWSNEYUJDH-UHFFFAOYSA-M
CC1=C(C=CC2=C1N=C(C=C2C(=O)[O-])C3=CC=C(C=C3)OC)Cl
C18H13ClNO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
326.8 g/mol
Property Name
XLogP3-AA
Property Value
5
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
326.0583960 g/mol
Property Name
Monoisotopic Mass
Property Value
326.0583960 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
419
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