N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine

C17H14ClFN2O — CID 110435673

IUPACN-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C17H14ClFN2O/c1-10-7-17(21-11-3-5-15(19)14(18)8-11)13-9-12(22-2)4-6-16(13)20-10/h3-9H,1-2H3,(H,20,21)
InChIKeyAEKAQVRPJWNKLZ-UHFFFAOYSA-N
MW316.76 g/mol
LogP5.09
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine

N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine (PubChem CID 110435673) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
PubChem CID110435673
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C17H14ClFN2O/c1-10-7-17(21-11-3-5-15(19)14(18)8-11)13-9-12(22-2)4-6-16(13)20-10/h3-9H,1-2H3,(H,20,21)
InChIKeyAEKAQVRPJWNKLZ-UHFFFAOYSA-N
XLogP5.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.76
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798244
N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798853
N-(3-chlorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 692374
6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine
CID 730833
N-(5-chloro-2-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 886675
6-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)quinolin-4-amine
CID 110435675
6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine
CID 23793112
N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 3687425
N-(4-fluorophenyl)-7-methoxy-2-methylquinolin-4-amine
CID 110435606
4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine
CID 141161256

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine (CID 110435673) is N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine is COc1ccc2nc(C)cc(Nc3ccc(F)c(Cl)c3)c2c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine?
The InChIKey is AEKAQVRPJWNKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c1-10-7-17(21-11-3-5-15(19)14(18)8-11)13-9-12(22-2)4-6-16(13)20-10/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine has a molecular weight of 316.76 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 110435673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).