N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride

C18H19ClN2O — CID 2876854

IUPACN-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride
SMILESCOc1ccc(Nc2cc(C)c3cc(C)ccc3n2)cc1.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-12-4-9-17-16(10-12)13(2)11-18(20-17)19-14-5-7-15(21-3)8-6-14;/h4-11H,1-3H3,(H,19,20);1H
InChIKeyVZLFABKRYYHOKQ-UHFFFAOYSA-N
MW314.82 g/mol
LogP5.03
Rot. Bonds3

About N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride

N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride (PubChem CID 2876854) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride
PubChem CID2876854
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC NameN-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride
SMILESCOc1ccc(Nc2cc(C)c3cc(C)ccc3n2)cc1.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-12-4-9-17-16(10-12)13(2)11-18(20-17)19-14-5-7-15(21-3)8-6-14;/h4-11H,1-3H3,(H,19,20);1H
InChIKeyVZLFABKRYYHOKQ-UHFFFAOYSA-N
XLogP5.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.82
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-6-methyl-N-phenylquinolin-2-amine
CID 139231045
N-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine
CID 740915
2-N-(2,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928025
4-methyl-N-phenylquinolin-2-amine
CID 616278
6-N-(4-methoxyphenyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877038
6-methyl-N,4-diphenylquinolin-2-amine
CID 139231040
6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 88571005
N-(2-methoxy-5-methylphenyl)-4-methylquinolin-2-amine
CID 619056
7-methoxy-N,4-dimethylquinolin-2-amine
CID 84619850
N-(2,5-dimethoxyphenyl)-4-methylquinolin-2-amine
CID 806171
4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928075
N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide
CID 20910572

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride (CID 2876854) is N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride is COc1ccc(Nc2cc(C)c3cc(C)ccc3n2)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride?
The InChIKey is VZLFABKRYYHOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O.ClH/c1-12-4-9-17-16(10-12)13(2)11-18(20-17)19-14-5-7-15(21-3)8-6-14;/h4-11H,1-3H3,(H,19,20);1H.
What are the key properties of N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride?
N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride is sourced from PubChem (CID 2876854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).