4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline

C17H16FN3O — CID 71764199

IUPAC4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2cnc3ccc(OCCF)cc3n2)cc1
InChIInChI=1S/C17H16FN3O/c1-19-13-4-2-12(3-5-13)17-11-20-15-7-6-14(22-9-8-18)10-16(15)21-17/h2-7,10-11,19H,8-9H2,1H3
InChIKeyKGCNFPYXRLZPMV-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.69
Rot. Bonds5

About 4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline

4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline (PubChem CID 71764199) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline
PubChem CID71764199
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2cnc3ccc(OCCF)cc3n2)cc1
InChIInChI=1S/C17H16FN3O/c1-19-13-4-2-12(3-5-13)17-11-20-15-7-6-14(22-9-8-18)10-16(15)21-17/h2-7,10-11,19H,8-9H2,1H3
InChIKeyKGCNFPYXRLZPMV-UHFFFAOYSA-N
XLogP3.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline?
The IUPAC name of 4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline (CID 71764199) is 4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline.
What is the SMILES notation for 4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline?
The canonical SMILES for 4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline is CNc1ccc(-c2cnc3ccc(OCCF)cc3n2)cc1.
What is the InChIKey of 4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline?
The InChIKey is KGCNFPYXRLZPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-19-13-4-2-12(3-5-13)17-11-20-15-7-6-14(22-9-8-18)10-16(15)21-17/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of 4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline?
4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline has a molecular weight of 297.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline is sourced from PubChem (CID 71764199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).