CID 42221837
PubChem CID
42221837
Structure
Molecular Formula
Status
Non-live
Molecular Weight
305.3 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
3-(dimethylamino)-6-methyl-2-phenylquinoline-4-carboxylate
InChI=1S/C19H18N2O2/c1-12-9-10-15-14(11-12)16(19(22)23)18(21(2)3)17(20-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,22,23)/p-1
HBAXIHNQYMYWTK-UHFFFAOYSA-M
CC1=CC2=C(C=C1)N=C(C(=C2C(=O)[O-])N(C)C)C3=CC=CC=C3
C19H17N2O2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
305.3 g/mol
Property Name
XLogP3-AA
Property Value
4.5
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
305.129002789 g/mol
Property Name
Monoisotopic Mass
Property Value
305.129002789 g/mol
Property Name
Topological Polar Surface Area
Property Value
56.3 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
414
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
CONTENTS