6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride

C17H15Cl3N2O — CID 2790562

IUPAC6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
SMILESCOc1ccc(Cl)cc1Nc1cc(C)nc2ccc(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
LogP6.02
Rot. Bonds3

About 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride

6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride (PubChem CID 2790562) 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-4-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
PubChem CID2790562
Molecular FormulaC17H15Cl3N2O
Molecular Weight369.68 g/mol
Exact Mass368.02
IUPAC Name6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
SMILESCOc1ccc(Cl)cc1Nc1cc(C)nc2ccc(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
XLogP6.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.68
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 886675
6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine
CID 23793112
6-chloro-2-methyl-N-(4-methylphenyl)quinolin-4-amine
CID 730830
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
CID 696493
6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine
CID 730833
2-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 71786100
N-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine
CID 740915
N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride
CID 56728823
4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 56921023
N-(3-chloro-4-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798244
6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-1-ium-4-amine chloride
CID 44658175
N-(3-chlorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 692374

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride?
The IUPAC name of 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride (CID 2790562) is 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride.
What is the SMILES notation for 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride?
The canonical SMILES for 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride is COc1ccc(Cl)cc1Nc1cc(C)nc2ccc(Cl)cc12.Cl.
What is the InChIKey of 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride?
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-4-amine;hydrochloride?
6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride has a molecular weight of 369.68 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride is sourced from PubChem (CID 2790562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).