2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride

C18H18Cl2N2O — CID 67899463

IUPAC2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride
SMILESCOc1cccc2c(Nc3ccccc3C)cc(CCl)nc12.Cl
InChIInChI=1S/C18H17ClN2O.ClH/c1-12-6-3-4-8-15(12)21-16-10-13(11-19)20-18-14(16)7-5-9-17(18)22-2;/h3-10H,11H2,1-2H3,(H,20,21);1H
InChIKeyKGSSQYXBZUCNRM-UHFFFAOYSA-N
MW349.26 g/mol
LogP5.46
Rot. Bonds4

About 2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride

2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride (PubChem CID 67899463) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride
PubChem CID67899463
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride
SMILESCOc1cccc2c(Nc3ccccc3C)cc(CCl)nc12.Cl
InChIInChI=1S/C18H17ClN2O.ClH/c1-12-6-3-4-8-15(12)21-16-10-13(11-19)20-18-14(16)7-5-9-17(18)22-2;/h3-10H,11H2,1-2H3,(H,20,21);1H
InChIKeyKGSSQYXBZUCNRM-UHFFFAOYSA-N
XLogP5.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.26
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798265
8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 19988739
N-(2-ethylphenyl)-8-methoxy-2-methylquinolin-4-amine;dihydrochloride
CID 45125627
8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine
CID 10248595
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
8-methoxy-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 55062637
8-methoxy-N,2-diphenylquinolin-4-amine
CID 91032667
ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 35208600
N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine
CID 23880571
8-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435559
N-(3-chloro-4-methoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798258

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride?
The IUPAC name of 2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride (CID 67899463) is 2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride is COc1cccc2c(Nc3ccccc3C)cc(CCl)nc12.Cl.
What is the InChIKey of 2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride?
The InChIKey is KGSSQYXBZUCNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O.ClH/c1-12-6-3-4-8-15(12)21-16-10-13(11-19)20-18-14(16)7-5-9-17(18)22-2;/h3-10H,11H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride?
2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride has a molecular weight of 349.26 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-8-methoxy-N-(2-methylphenyl)quinolin-4-amine;hydrochloride is sourced from PubChem (CID 67899463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).