N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine

C13H15FN2O — CID 55062202

IUPACN-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine
SMILESCCNc1cc(COC)nc2c(F)cccc12
InChIInChI=1S/C13H15FN2O/c1-3-15-12-7-9(8-17-2)16-13-10(12)5-4-6-11(13)14/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyNHOZEOCROIFLEE-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.95
Rot. Bonds4

About N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine

N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine (PubChem CID 55062202) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine
PubChem CID55062202
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC NameN-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine
SMILESCCNc1cc(COC)nc2c(F)cccc12
InChIInChI=1S/C13H15FN2O/c1-3-15-12-7-9(8-17-2)16-13-10(12)5-4-6-11(13)14/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyNHOZEOCROIFLEE-UHFFFAOYSA-N
XLogP2.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine?
The IUPAC name of N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine (CID 55062202) is N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine.
What is the SMILES notation for N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine?
The canonical SMILES for N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine is CCNc1cc(COC)nc2c(F)cccc12.
What is the InChIKey of N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine?
The InChIKey is NHOZEOCROIFLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-15-12-7-9(8-17-2)16-13-10(12)5-4-6-11(13)14/h4-7H,3,8H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine?
N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine has a molecular weight of 234.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine is sourced from PubChem (CID 55062202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).