3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide

C21H20N4O2 — CID 53317965

IUPAC3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide
SMILESCCOc1nc2ccccc2nc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H20N4O2/c1-2-27-21-19(24-17-9-5-6-10-18(17)25-21)20(26)22-12-11-14-13-23-16-8-4-3-7-15(14)16/h3-10,13,23H,2,11-12H2,1H3,(H,22,26)
InChIKeyLPPPTZUVTMSCND-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.48
Rot. Bonds6

About 3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide

3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide (PubChem CID 53317965) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide
PubChem CID53317965
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide
SMILESCCOc1nc2ccccc2nc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H20N4O2/c1-2-27-21-19(24-17-9-5-6-10-18(17)25-21)20(26)22-12-11-14-13-23-16-8-4-3-7-15(14)16/h3-10,13,23H,2,11-12H2,1H3,(H,22,26)
InChIKeyLPPPTZUVTMSCND-UHFFFAOYSA-N
XLogP3.48
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 71730369
3-ethoxy-N-pyridin-3-ylquinoxaline-2-carboxamide
CID 53317964
N-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 45997171
N-Benzyl-2-({[2-(1H-indol-3-YL)ethyl][(3-methylphenyl)methyl]amino}methyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 45997182
2-[[(2,4-difluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 45998294
2-({[(2,4-Difluorophenyl)methyl][2-(1H-indol-3-YL)ethyl]amino}methyl)-N-[(pyridin-2-YL)methyl]-1,3-oxazole-4-carboxamide
CID 45998297
1-[4-[2-[[(2,4-difluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-1,3-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 45998299
2-[[(3-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 45998301
2-[[(3-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 45998302
2-[[(3-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 45998303
[(3-Fluorophenyl)methyl][2-(1H-indol-3-YL)ethyl]{[4-(morpholine-4-carbonyl)-1,3-oxazol-2-YL]methyl}amine
CID 45998310
2-({[2-(1H-Indol-3-YL)ethyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-[2-(morpholin-4-YL)ethyl]-1,3-oxazole-4-carboxamide
CID 46000104

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide?
The IUPAC name of 3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide (CID 53317965) is 3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide is CCOc1nc2ccccc2nc1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide?
The InChIKey is LPPPTZUVTMSCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-2-27-21-19(24-17-9-5-6-10-18(17)25-21)20(26)22-12-11-14-13-23-16-8-4-3-7-15(14)16/h3-10,13,23H,2,11-12H2,1H3,(H,22,26).
What are the key properties of 3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide?
3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(1H-indol-3-yl)ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 53317965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).