N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride

C17H17ClN2O — CID 2789786

IUPACN-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
SMILESCOc1ccc(Nc2cc(C)nc3ccccc23)cc1.Cl
InChIInChI=1S/C17H16N2O.ClH/c1-12-11-17(15-5-3-4-6-16(15)18-12)19-13-7-9-14(20-2)10-8-13;/h3-11H,1-2H3,(H,18,19);1H
InChIKeySUTVURVOSLJDGJ-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.72
Rot. Bonds3

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

N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride (PubChem CID 2789786) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
PubChem CID2789786
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
SMILESCOc1ccc(Nc2cc(C)nc3ccccc23)cc1.Cl
InChIInChI=1S/C17H16N2O.ClH/c1-12-11-17(15-5-3-4-6-16(15)18-12)19-13-7-9-14(20-2)10-8-13;/h3-11H,1-2H3,(H,18,19);1H
InChIKeySUTVURVOSLJDGJ-UHFFFAOYSA-N
XLogP4.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride (CID 2789786) is N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride is COc1ccc(Nc2cc(C)nc3ccccc23)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride?
The InChIKey is SUTVURVOSLJDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O.ClH/c1-12-11-17(15-5-3-4-6-16(15)18-12)19-13-7-9-14(20-2)10-8-13;/h3-11H,1-2H3,(H,18,19);1H.
What are the key properties of N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride?
N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride is sourced from PubChem (CID 2789786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).