6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine

C18H17ClN2O2 — CID 23793112

IUPAC6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc3ccc(Cl)cc23)cc1OC
InChIInChI=1S/C18H17ClN2O2/c1-11-8-16(14-9-12(19)4-6-15(14)20-11)21-13-5-7-17(22-2)18(10-13)23-3/h4-10H,1-3H3,(H,20,21)
InChIKeyVFZZIBLDWLMRIB-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.96
Rot. Bonds4

About 6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine

6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine (PubChem CID 23793112) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine
PubChem CID23793112
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc3ccc(Cl)cc23)cc1OC
InChIInChI=1S/C18H17ClN2O2/c1-11-8-16(14-9-12(19)4-6-15(14)20-11)21-13-5-7-17(22-2)18(10-13)23-3/h4-10H,1-3H3,(H,20,21)
InChIKeyVFZZIBLDWLMRIB-UHFFFAOYSA-N
XLogP4.96
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
CID 2790562
6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine
CID 730833
6-chloro-2-methyl-N-(4-methylphenyl)quinolin-4-amine
CID 730830
N-(3-chloro-4-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798244
N-(5-chloro-2-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 886675
N-(3,4-dimethoxyphenyl)-7-methoxy-2-methylquinolin-4-amine
CID 110435623
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
CID 696493
N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 110435673
N-(3-chlorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 692374
2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
CID 155541385
2-N-(4-chloro-2-methylphenyl)-4-N-(3,4-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930056
6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride
CID 2790572

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine?
The IUPAC name of 6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine (CID 23793112) is 6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine?
The canonical SMILES for 6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine is COc1ccc(Nc2cc(C)nc3ccc(Cl)cc23)cc1OC.
What is the InChIKey of 6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine?
The InChIKey is VFZZIBLDWLMRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-8-16(14-9-12(19)4-6-15(14)20-11)21-13-5-7-17(22-2)18(10-13)23-3/h4-10H,1-3H3,(H,20,21).
What are the key properties of 6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine?
6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine has a molecular weight of 328.80 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine is sourced from PubChem (CID 23793112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).