N-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine

C17H14Cl2N2O — CID 825303

IUPACN-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(Nc3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C17H14Cl2N2O/c1-10-7-17(21-11-3-5-14(18)15(19)8-11)13-9-12(22-2)4-6-16(13)20-10/h3-9H,1-2H3,(H,20,21)
InChIKeyVGIBEFQNLZOXII-UHFFFAOYSA-N
MW333.22 g/mol
LogP5.60
Rot. Bonds3

About N-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine

N-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine (PubChem CID 825303) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine
PubChem CID825303
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC NameN-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(Nc3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C17H14Cl2N2O/c1-10-7-17(21-11-3-5-14(18)15(19)8-11)13-9-12(22-2)4-6-16(13)20-10/h3-9H,1-2H3,(H,20,21)
InChIKeyVGIBEFQNLZOXII-UHFFFAOYSA-N
XLogP5.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.22
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine (CID 825303) is N-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine is COc1ccc2nc(C)cc(Nc3ccc(Cl)c(Cl)c3)c2c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine?
The InChIKey is VGIBEFQNLZOXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-10-7-17(21-11-3-5-14(18)15(19)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-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine?
N-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine has a molecular weight of 333.22 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-6-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 825303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).