N-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine

C18H17ClN2O — CID 740915

IUPACN-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine
SMILESCOc1ccc(Cl)cc1Nc1cc(C)c2cc(C)ccc2n1
InChIInChI=1S/C18H17ClN2O/c1-11-4-6-15-14(8-11)12(2)9-18(20-15)21-16-10-13(19)5-7-17(16)22-3/h4-10H,1-3H3,(H,20,21)
InChIKeyHLWMLYNEZWIYMO-UHFFFAOYSA-N
MW312.80 g/mol
LogP5.26
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine

N-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine (PubChem CID 740915) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine
PubChem CID740915
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine
SMILESCOc1ccc(Cl)cc1Nc1cc(C)c2cc(C)ccc2n1
InChIInChI=1S/C18H17ClN2O/c1-11-4-6-15-14(8-11)12(2)9-18(20-15)21-16-10-13(19)5-7-17(16)22-3/h4-10H,1-3H3,(H,20,21)
InChIKeyHLWMLYNEZWIYMO-UHFFFAOYSA-N
XLogP5.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.80
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride
CID 56728823
N-(2-methoxy-5-methylphenyl)-4-methylquinolin-2-amine
CID 619056
6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
CID 2790562
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride
CID 52986012
4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 56921023
N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride
CID 2876854
N-(2,5-dimethoxyphenyl)-4-methylquinolin-2-amine
CID 806171
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876894
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902498
6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848881
N-(2-methoxyphenyl)-4-methylquinolin-2-amine
CID 847633
N-(5-chloro-2-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 886675

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine (CID 740915) is N-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine is COc1ccc(Cl)cc1Nc1cc(C)c2cc(C)ccc2n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine?
The InChIKey is HLWMLYNEZWIYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-11-4-6-15-14(8-11)12(2)9-18(20-15)21-16-10-13(19)5-7-17(16)22-3/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine?
N-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine has a molecular weight of 312.80 g/mol, XLogP of 5.26, 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)-4,6-dimethylquinolin-2-amine is sourced from PubChem (CID 740915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).