ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate

C14H13N3O2 — CID 177421986

IUPACethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate
SMILESCCOC(=O)c1cnc2c3ccccc3n(C)c2n1
InChIInChI=1S/C14H13N3O2/c1-3-19-14(18)10-8-15-12-9-6-4-5-7-11(9)17(2)13(12)16-10/h4-8H,3H2,1-2H3
InChIKeyLYZZQMOWXHPRTO-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.30
Rot. Bonds2

About ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate

ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate (PubChem CID 177421986) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate
PubChem CID177421986
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Nameethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate
SMILESCCOC(=O)c1cnc2c3ccccc3n(C)c2n1
InChIInChI=1S/C14H13N3O2/c1-3-19-14(18)10-8-15-12-9-6-4-5-7-11(9)17(2)13(12)16-10/h4-8H,3H2,1-2H3
InChIKeyLYZZQMOWXHPRTO-UHFFFAOYSA-N
XLogP2.30
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate
CID 164562201
ethyl quinoxaline-2-carboxylate
CID 582701
ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate
CID 13060569
ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 13147294
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
ethyl quinoxaline-2-carboxylate;1H-pyrrole
CID 175129436
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066
ethyl 2-(N-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]anilino)acetate
CID 6413138
ethyl 3-(9-methylpyrido[3,4-b]indol-3-yl)-3-oxopropanoate
CID 90148338
butyl 5-methylpyrido[4,3-b]indole-3-carboxylate
CID 102310229
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
CID 3129853

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate?
The IUPAC name of ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate (CID 177421986) is ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate?
The canonical SMILES for ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate is CCOC(=O)c1cnc2c3ccccc3n(C)c2n1.
What is the InChIKey of ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate?
The InChIKey is LYZZQMOWXHPRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-3-19-14(18)10-8-15-12-9-6-4-5-7-11(9)17(2)13(12)16-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate?
ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate has a molecular weight of 255.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate is sourced from PubChem (CID 177421986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).