6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-amine;hydrochloride

C18H19ClN2O — CID 23724347

IUPAC6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-amine;hydrochloride
SMILESCOc1ccc2nc(C)cc(Nc3ccc(C)cc3)c2c1.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-12-4-6-14(7-5-12)20-18-10-13(2)19-17-9-8-15(21-3)11-16(17)18;/h4-11H,1-3H3,(H,19,20);1H
InChIKeyJAIFBGLVLBEYHH-UHFFFAOYSA-N
MW314.82 g/mol
LogP5.03
Rot. Bonds3

About 6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-amine;hydrochloride

6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-amine;hydrochloride (PubChem CID 23724347) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-amine;hydrochloride
PubChem CID23724347
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-amine;hydrochloride
SMILESCOc1ccc2nc(C)cc(Nc3ccc(C)cc3)c2c1.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-12-4-6-14(7-5-12)20-18-10-13(2)19-17-9-8-15(21-3)11-16(17)18;/h4-11H,1-3H3,(H,19,20);1H
InChIKeyJAIFBGLVLBEYHH-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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-amine;hydrochloride?
The IUPAC name of 6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-amine;hydrochloride (CID 23724347) is 6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-amine;hydrochloride.
What is the SMILES notation for 6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-amine;hydrochloride?
The canonical SMILES for 6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-amine;hydrochloride is COc1ccc2nc(C)cc(Nc3ccc(C)cc3)c2c1.Cl.
What is the InChIKey of 6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-amine;hydrochloride?
The InChIKey is JAIFBGLVLBEYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O.ClH/c1-12-4-6-14(7-5-12)20-18-10-13(2)19-17-9-8-15(21-3)11-16(17)18;/h4-11H,1-3H3,(H,19,20);1H.
What are the key properties of 6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-amine;hydrochloride?
6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-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 6-methoxy-2-methyl-N-(4-methylphenyl)quinolin-4-amine;hydrochloride is sourced from PubChem (CID 23724347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).