6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride

C17H15Cl3N2O — CID 44658175

IUPAC6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride
SMILESCOc1ccc(Cl)cc1Nc1cc(C)[nH+]c2ccc(Cl)cc12.[Cl-]
InChIInChI=1S/C17H14Cl2N2O.ClH/c1-10-7-15(13-8-11(18)3-5-14(13)20-10)21-16-9-12(19)4-6-17(16)22-2;/h3-9H,1-2H3,(H,20,21);1H
InChIKeyTWBFHUWANGCCNN-UHFFFAOYSA-N
MW369.68 g/mol
LogP2.03
Rot. Bonds3

About 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride

6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride (PubChem CID 44658175) has the molecular formula C17H15Cl3N2O and a molecular weight of 369.68 g/mol. Its IUPAC name is 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride.

Molecular Properties

Compound Name6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride
PubChem CID44658175
Molecular FormulaC17H15Cl3N2O
Molecular Weight369.68 g/mol
Exact Mass368.02
IUPAC Name6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride
SMILESCOc1ccc(Cl)cc1Nc1cc(C)[nH+]c2ccc(Cl)cc12.[Cl-]
InChIInChI=1S/C17H14Cl2N2O.ClH/c1-10-7-15(13-8-11(18)3-5-14(13)20-10)21-16-9-12(19)4-6-17(16)22-2;/h3-9H,1-2H3,(H,20,21);1H
InChIKeyTWBFHUWANGCCNN-UHFFFAOYSA-N
XLogP2.03
TPSA35.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.68
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
CID 2790562
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
propyl 4-[(6-chloro-2-methylquinolin-1-ium-4-yl)amino]benzoate chloride
CID 44656656
5-chloro-N-(2-chlorophenyl)-2-methoxyaniline
CID 82536966
N-(5-chloro-2-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 886675
5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
CID 80700235
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935
1-N-(5-chloro-2-methoxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589872
N-(5-chloro-2-methoxyphenyl)sulfamoyl chloride
CID 84760623
3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025
8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine
CID 43450176
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876894

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride?
The IUPAC name of 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride (CID 44658175) is 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride.
What is the SMILES notation for 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride?
The canonical SMILES for 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride is COc1ccc(Cl)cc1Nc1cc(C)[nH+]c2ccc(Cl)cc12.[Cl-].
What is the InChIKey of 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride?
The InChIKey is TWBFHUWANGCCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O.ClH/c1-10-7-15(13-8-11(18)3-5-14(13)20-10)21-16-9-12(19)4-6-17(16)22-2;/h3-9H,1-2H3,(H,20,21);1H.
What are the key properties of 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride?
6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride has a molecular weight of 369.68 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride is sourced from PubChem (CID 44658175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).