6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one

C14H18N2O2 — CID 102783839

IUPAC6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESCCOc1cccc2c1NC(=O)C1C(C)CCN21
InChIInChI=1S/C14H18N2O2/c1-3-18-11-6-4-5-10-12(11)15-14(17)13-9(2)7-8-16(10)13/h4-6,9,13H,3,7-8H2,1-2H3,(H,15,17)
InChIKeyJKFDXWDPVTYCCN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.25
Rot. Bonds2

About 6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one

6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 102783839) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID102783839
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESCCOc1cccc2c1NC(=O)C1C(C)CCN21
InChIInChI=1S/C14H18N2O2/c1-3-18-11-6-4-5-10-12(11)15-14(17)13-9(2)7-8-16(10)13/h4-6,9,13H,3,7-8H2,1-2H3,(H,15,17)
InChIKeyJKFDXWDPVTYCCN-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 114431954
8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one
CID 105357295
4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
CID 113393246
6-ethoxy-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 105356162
1-(2-ethoxyphenyl)-2-methylpiperidin-4-one
CID 54975575
6-propan-2-yloxy-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 113393558
(4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675917
1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine
CID 64931392
4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one
CID 61361632
1-(2-ethoxyphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64957042
1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64957101
1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64957192

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one (CID 102783839) is 6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one is CCOc1cccc2c1NC(=O)C1C(C)CCN21.
What is the InChIKey of 6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is JKFDXWDPVTYCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-18-11-6-4-5-10-12(11)15-14(17)13-9(2)7-8-16(10)13/h4-6,9,13H,3,7-8H2,1-2H3,(H,15,17).
What are the key properties of 6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one?
6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 246.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 102783839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).