4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline

C14H20N2O — CID 113393246

IUPAC4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
SMILESCCOc1cccc2c1NCC1CCCCN21
InChIInChI=1S/C14H20N2O/c1-2-17-13-8-5-7-12-14(13)15-10-11-6-3-4-9-16(11)12/h5,7-8,11,15H,2-4,6,9-10H2,1H3
InChIKeyIKWXLDCYCHVRHF-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.87
Rot. Bonds2

About 4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline

4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline (PubChem CID 113393246) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
PubChem CID113393246
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
SMILESCCOc1cccc2c1NCC1CCCCN21
InChIInChI=1S/C14H20N2O/c1-2-17-13-8-5-7-12-14(13)15-10-11-6-3-4-9-16(11)12/h5,7-8,11,15H,2-4,6,9-10H2,1H3
InChIKeyIKWXLDCYCHVRHF-UHFFFAOYSA-N
XLogP2.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
CID 84640424
6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 102783839
8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one
CID 105357295
9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 84620310
4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 114431954
(4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675917
8-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075693
5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 105356216
1-(2,6-diethoxyphenyl)piperidine
CID 12585905
9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62713932
1-[1-(3-ethoxy-2-nitrophenyl)piperidin-3-yl]pyrrolidin-2-one
CID 84600030
1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane
CID 54973542

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline?
The IUPAC name of 4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline (CID 113393246) is 4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline.
What is the SMILES notation for 4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline?
The canonical SMILES for 4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline is CCOc1cccc2c1NCC1CCCCN21.
What is the InChIKey of 4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline?
The InChIKey is IKWXLDCYCHVRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-17-13-8-5-7-12-14(13)15-10-11-6-3-4-9-16(11)12/h5,7-8,11,15H,2-4,6,9-10H2,1H3.
What are the key properties of 4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline?
4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline has a molecular weight of 232.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline is sourced from PubChem (CID 113393246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).