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CID 44644354

PubChem CID
44644354
Structure
CID 44644354_small.png
Molecular Formula
Status
Non-live
Molecular Weight
326.77 g/mol
Dates
  • Create:
    2010-03-11

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 44644354.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[2-(2-hydroxyethoxy)ethylamino]-2-methylquinoline-6-carboxylic acid;hydrochloride

2.1.2 InChI

InChI=1S/C15H18N2O4.ClH/c1-10-8-14(16-4-6-21-7-5-18)12-9-11(15(19)20)2-3-13(12)17-10;/h2-3,8-9,18H,4-7H2,1H3,(H,16,17)(H,19,20);1H

2.1.3 InChIKey

FMMXKHRBUXRGQY-UHFFFAOYSA-N

2.1.4 SMILES

CC1=CC(=C2C=C(C=CC2=N1)C(=O)O)NCCOCCO.Cl

2.2 Molecular Formula

C15H19ClN2O4

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
326.77 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
4
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
326.1033348 g/mol
Property Name
Monoisotopic Mass
Property Value
326.1033348 g/mol
Property Name
Topological Polar Surface Area
Property Value
91.7 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
340
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS