6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine

C12H11F3N2O — CID 55062445

IUPAC6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine
SMILESCNc1cc(COC)nc2c(F)c(F)c(F)cc12
InChIInChI=1S/C12H11F3N2O/c1-16-9-3-6(5-18-2)17-12-7(9)4-8(13)10(14)11(12)15/h3-4H,5H2,1-2H3,(H,16,17)
InChIKeyZYLJRKXWVHJXRW-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.84
Rot. Bonds3

About 6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine

6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine (PubChem CID 55062445) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine.

Molecular Properties

Compound Name6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine
PubChem CID55062445
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine
SMILESCNc1cc(COC)nc2c(F)c(F)c(F)cc12
InChIInChI=1S/C12H11F3N2O/c1-16-9-3-6(5-18-2)17-12-7(9)4-8(13)10(14)11(12)15/h3-4H,5H2,1-2H3,(H,16,17)
InChIKeyZYLJRKXWVHJXRW-UHFFFAOYSA-N
XLogP2.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine?
The IUPAC name of 6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine (CID 55062445) is 6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine.
What is the SMILES notation for 6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine?
The canonical SMILES for 6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine is CNc1cc(COC)nc2c(F)c(F)c(F)cc12.
What is the InChIKey of 6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine?
The InChIKey is ZYLJRKXWVHJXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-16-9-3-6(5-18-2)17-12-7(9)4-8(13)10(14)11(12)15/h3-4H,5H2,1-2H3,(H,16,17).
What are the key properties of 6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine?
6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine has a molecular weight of 256.23 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trifluoro-2-(methoxymethyl)-N-methylquinolin-4-amine is sourced from PubChem (CID 55062445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).