CID 42485461
PubChem CID
42485461
Structure
Molecular Formula
Status
Non-live
Molecular Weight
347.5 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
cyclopentyl-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]azanium
InChI=1S/C23H26N2O/c1-16-7-8-18-14-19(15-24-20-5-3-4-6-20)23(25-22(18)13-16)17-9-11-21(26-2)12-10-17/h7-14,20,24H,3-6,15H2,1-2H3/p+1
UTXZSABMLAWCLR-UHFFFAOYSA-O
CC1=CC2=NC(=C(C=C2C=C1)C[NH2+]C3CCCC3)C4=CC=C(C=C4)OC
C23H27N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
347.5 g/mol
Property Name
XLogP3-AA
Property Value
4.8
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
347.212338489 g/mol
Property Name
Monoisotopic Mass
Property Value
347.212338489 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.7 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
428
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