3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline

C16H17F2N3 — CID 82156847

IUPAC3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
SMILESCCC1CNc2cc(F)c(F)cc2N1Cc1cccnc1
InChIInChI=1S/C16H17F2N3/c1-2-12-9-20-15-6-13(17)14(18)7-16(15)21(12)10-11-4-3-5-19-8-11/h3-8,12,20H,2,9-10H2,1H3
InChIKeyAWMFWSRLWMSGLN-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.57
Rot. Bonds3

About 3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline

3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 82156847) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
PubChem CID82156847
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
SMILESCCC1CNc2cc(F)c(F)cc2N1Cc1cccnc1
InChIInChI=1S/C16H17F2N3/c1-2-12-9-20-15-6-13(17)14(18)7-16(15)21(12)10-11-4-3-5-19-8-11/h3-8,12,20H,2,9-10H2,1H3
InChIKeyAWMFWSRLWMSGLN-UHFFFAOYSA-N
XLogP3.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline (CID 82156847) is 3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline is CCC1CNc2cc(F)c(F)cc2N1Cc1cccnc1.
What is the InChIKey of 3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is AWMFWSRLWMSGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3/c1-2-12-9-20-15-6-13(17)14(18)7-16(15)21(12)10-11-4-3-5-19-8-11/h3-8,12,20H,2,9-10H2,1H3.
What are the key properties of 3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline?
3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 289.33 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,7-difluoro-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 82156847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).