5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine

C17H14Cl2N2O2 — CID 609013

IUPAC5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine
SMILESCOc1cc(N)c2nccc(C)c2c1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-9-5-6-21-16-12(20)8-14(22-2)17(15(9)16)23-13-4-3-10(18)7-11(13)19/h3-8H,20H2,1-2H3
InChIKeyQMCIYHYXWXRUJS-UHFFFAOYSA-N
MW349.22 g/mol
LogP5.23
Rot. Bonds3

About 5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine

5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine (PubChem CID 609013) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine
PubChem CID609013
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine
SMILESCOc1cc(N)c2nccc(C)c2c1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-9-5-6-21-16-12(20)8-14(22-2)17(15(9)16)23-13-4-3-10(18)7-11(13)19/h3-8H,20H2,1-2H3
InChIKeyQMCIYHYXWXRUJS-UHFFFAOYSA-N
XLogP5.23
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.22
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine?
The IUPAC name of 5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine (CID 609013) is 5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine.
What is the SMILES notation for 5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine?
The canonical SMILES for 5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine is COc1cc(N)c2nccc(C)c2c1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine?
The InChIKey is QMCIYHYXWXRUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-9-5-6-21-16-12(20)8-14(22-2)17(15(9)16)23-13-4-3-10(18)7-11(13)19/h3-8H,20H2,1-2H3.
What are the key properties of 5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine?
5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine has a molecular weight of 349.22 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-amine is sourced from PubChem (CID 609013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).