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

C17H16Cl2N2O — CID 56728823

IUPACN-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride
SMILESCOc1ccc(Cl)cc1Nc1cc(C)c2ccccc2n1.Cl
InChIInChI=1S/C17H15ClN2O.ClH/c1-11-9-17(19-14-6-4-3-5-13(11)14)20-15-10-12(18)7-8-16(15)21-2;/h3-10H,1-2H3,(H,19,20);1H
InChIKeyKBAGIKOYQCVBPY-UHFFFAOYSA-N
MW335.23 g/mol
LogP5.37
Rot. Bonds3

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

N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride (PubChem CID 56728823) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride
PubChem CID56728823
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride
SMILESCOc1ccc(Cl)cc1Nc1cc(C)c2ccccc2n1.Cl
InChIInChI=1S/C17H15ClN2O.ClH/c1-11-9-17(19-14-6-4-3-5-13(11)14)20-15-10-12(18)7-8-16(15)21-2;/h3-10H,1-2H3,(H,19,20);1H
InChIKeyKBAGIKOYQCVBPY-UHFFFAOYSA-N
XLogP5.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.23
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride (CID 56728823) is N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride is COc1ccc(Cl)cc1Nc1cc(C)c2ccccc2n1.Cl.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride?
The InChIKey is KBAGIKOYQCVBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O.ClH/c1-11-9-17(19-14-6-4-3-5-13(11)14)20-15-10-12(18)7-8-16(15)21-2;/h3-10H,1-2H3,(H,19,20);1H.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride?
N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride has a molecular weight of 335.23 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride is sourced from PubChem (CID 56728823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).