3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline

C14H22N2 — CID 84623218

IUPAC3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline
SMILESCCC1CNc2cccc(C(C)C)c2N1C
InChIInChI=1S/C14H22N2/c1-5-11-9-15-13-8-6-7-12(10(2)3)14(13)16(11)4/h6-8,10-11,15H,5,9H2,1-4H3
InChIKeyNYZQAIIZGDSYDX-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.45
Rot. Bonds2

About 3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline

3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline (PubChem CID 84623218) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline
PubChem CID84623218
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline
SMILESCCC1CNc2cccc(C(C)C)c2N1C
InChIInChI=1S/C14H22N2/c1-5-11-9-15-13-8-6-7-12(10(2)3)14(13)16(11)4/h6-8,10-11,15H,5,9H2,1-4H3
InChIKeyNYZQAIIZGDSYDX-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline (CID 84623218) is 3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline is CCC1CNc2cccc(C(C)C)c2N1C.
What is the InChIKey of 3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The InChIKey is NYZQAIIZGDSYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-11-9-15-13-8-6-7-12(10(2)3)14(13)16(11)4/h6-8,10-11,15H,5,9H2,1-4H3.
What are the key properties of 3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline?
3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline has a molecular weight of 218.34 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 84623218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).