An official website of the United States government

7,8-Dimethyl-2-(pyridin-2-yl)quinoline-4-carbonyl chloride hydrochloride

PubChem CID
56773470
Structure
7,8-Dimethyl-2-(pyridin-2-yl)quinoline-4-carbonyl chloride hydrochloride_small.png
7,8-Dimethyl-2-(pyridin-2-yl)quinoline-4-carbonyl chloride hydrochloride_3D_Structure.png
Molecular Formula
Synonyms
  • 1332528-38-7
  • 7,8-dimethyl-2-(pyridin-2-yl)quinoline-4-carbonyl chloride hydrochloride
  • 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl chloride hydrochloride
  • 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl chloride;hydrochloride
  • 1203015-83-1
Molecular Weight
333.2 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
  • Create:
    2012-03-08
  • Modify:
    2025-01-25

1 Structures

1.1 2D Structure

Chemical Structure Depiction
7,8-Dimethyl-2-(pyridin-2-yl)quinoline-4-carbonyl chloride hydrochloride.png

1.2 3D Conformer

3D Conformer of Parent

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

7,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl chloride;hydrochloride
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)

2.1.2 InChI

InChI=1S/C17H13ClN2O.ClH/c1-10-6-7-12-13(17(18)21)9-15(20-16(12)11(10)2)14-5-3-4-8-19-14;/h3-9H,1-2H3;1H
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

2.1.3 InChIKey

GOJCXHAXAYSRNJ-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

2.1.4 SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)Cl)C.Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C17H14Cl2N2O
Computed by PubChem 2.2 (PubChem release 2024.11.20)

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
333.2 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
332.0483185 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
332.0483185 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
42.9 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
22
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
389
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2012.02.08)

5 Chemical Vendors

6 Information Sources

CONTENTS