5,6-dimethoxy-2,4-dimethylquinolin-8-amine

C13H16N2O2 — CID 612479

IUPAC5,6-dimethoxy-2,4-dimethylquinolin-8-amine
SMILESCOc1cc(N)c2nc(C)cc(C)c2c1OC
InChIInChI=1S/C13H16N2O2/c1-7-5-8(2)15-12-9(14)6-10(16-3)13(17-4)11(7)12/h5-6H,14H2,1-4H3
InChIKeySBVWNKJQWHZWIV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.45
Rot. Bonds2

About 5,6-dimethoxy-2,4-dimethylquinolin-8-amine

5,6-dimethoxy-2,4-dimethylquinolin-8-amine (PubChem CID 612479) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5,6-dimethoxy-2,4-dimethylquinolin-8-amine.

Molecular Properties

Compound Name5,6-dimethoxy-2,4-dimethylquinolin-8-amine
PubChem CID612479
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5,6-dimethoxy-2,4-dimethylquinolin-8-amine
SMILESCOc1cc(N)c2nc(C)cc(C)c2c1OC
InChIInChI=1S/C13H16N2O2/c1-7-5-8(2)15-12-9(14)6-10(16-3)13(17-4)11(7)12/h5-6H,14H2,1-4H3
InChIKeySBVWNKJQWHZWIV-UHFFFAOYSA-N
XLogP2.45
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.45
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 5,6-dimethoxy-2,4-dimethylquinolin-8-amine?
The IUPAC name of 5,6-dimethoxy-2,4-dimethylquinolin-8-amine (CID 612479) is 5,6-dimethoxy-2,4-dimethylquinolin-8-amine.
What is the SMILES notation for 5,6-dimethoxy-2,4-dimethylquinolin-8-amine?
The canonical SMILES for 5,6-dimethoxy-2,4-dimethylquinolin-8-amine is COc1cc(N)c2nc(C)cc(C)c2c1OC.
What is the InChIKey of 5,6-dimethoxy-2,4-dimethylquinolin-8-amine?
The InChIKey is SBVWNKJQWHZWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-7-5-8(2)15-12-9(14)6-10(16-3)13(17-4)11(7)12/h5-6H,14H2,1-4H3.
What are the key properties of 5,6-dimethoxy-2,4-dimethylquinolin-8-amine?
5,6-dimethoxy-2,4-dimethylquinolin-8-amine has a molecular weight of 232.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2,4-dimethylquinolin-8-amine is sourced from PubChem (CID 612479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).