5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine

C12H12F2N2O — CID 55062638

IUPAC5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine
SMILESCNc1cc(COC)nc2cc(F)cc(F)c12
InChIInChI=1S/C12H12F2N2O/c1-15-10-5-8(6-17-2)16-11-4-7(13)3-9(14)12(10)11/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyWHRVVMLWIOVOBO-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.70
Rot. Bonds3

About 5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine

5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine (PubChem CID 55062638) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine
PubChem CID55062638
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine
SMILESCNc1cc(COC)nc2cc(F)cc(F)c12
InChIInChI=1S/C12H12F2N2O/c1-15-10-5-8(6-17-2)16-11-4-7(13)3-9(14)12(10)11/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyWHRVVMLWIOVOBO-UHFFFAOYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine (CID 55062638) is 5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine is CNc1cc(COC)nc2cc(F)cc(F)c12.
What is the InChIKey of 5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine?
The InChIKey is WHRVVMLWIOVOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-15-10-5-8(6-17-2)16-11-4-7(13)3-9(14)12(10)11/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine?
5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine has a molecular weight of 238.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-(methoxymethyl)-N-methylquinolin-4-amine is sourced from PubChem (CID 55062638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).