ethyl quinoxaline-2-carboxylate;1H-pyrrole

C15H15N3O2 — CID 175129436

IUPACethyl quinoxaline-2-carboxylate;1H-pyrrole
SMILESCCOC(=O)c1cnc2ccccc2n1.c1cc[nH]c1
InChIInChI=1S/C11H10N2O2.C4H5N/c1-2-15-11(14)10-7-12-8-5-3-4-6-9(8)13-10;1-2-4-5-3-1/h3-7H,2H2,1H3;1-5H
InChIKeyLDGGERDZGXQLTH-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.82
Rot. Bonds2

About ethyl quinoxaline-2-carboxylate;1H-pyrrole

ethyl quinoxaline-2-carboxylate;1H-pyrrole (PubChem CID 175129436) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl quinoxaline-2-carboxylate;1H-pyrrole.

Molecular Properties

Compound Nameethyl quinoxaline-2-carboxylate;1H-pyrrole
PubChem CID175129436
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Nameethyl quinoxaline-2-carboxylate;1H-pyrrole
SMILESCCOC(=O)c1cnc2ccccc2n1.c1cc[nH]c1
InChIInChI=1S/C11H10N2O2.C4H5N/c1-2-15-11(14)10-7-12-8-5-3-4-6-9(8)13-10;1-2-4-5-3-1/h3-7H,2H2,1H3;1-5H
InChIKeyLDGGERDZGXQLTH-UHFFFAOYSA-N
XLogP2.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl quinoxaline-2-carboxylate
CID 582701
ethyl 6-methoxyquinoxaline-2-carboxylate
CID 22917221
ethyl 4-fluoroquinoline-2-carboxylate
CID 125473134
quinoxalin-2-yl quinoxaline-2-carboxylate
CID 177101519
1-quinoxalin-2-ylbutan-1-one
CID 14895791
ethyl 2-[benzyl-[2-(quinoxaline-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 43028921
(2-oxo-2-quinoxalin-2-ylethyl) acetate
CID 119091259
tert-butyl quinoxaline-2-carboperoxoate
CID 19977649
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
CID 23859831
imidazo[1,2-a]pyridin-2-ylmethyl quinoxaline-2-carboxylate
CID 71944439
(E)-ethoxy-[(15E)-15-[ethoxy(oxido)methylidene]-3,16-dimethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,5,7,9,11,13,16,18,20-decaen-4-ylidene]methanolate;iron(2+)
CID 51346239
[2-[[4-(2-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl] quinoxaline-2-carboxylate
CID 30031853

Frequently Asked Questions

What is the IUPAC name of ethyl quinoxaline-2-carboxylate;1H-pyrrole?
The IUPAC name of ethyl quinoxaline-2-carboxylate;1H-pyrrole (CID 175129436) is ethyl quinoxaline-2-carboxylate;1H-pyrrole.
What is the SMILES notation for ethyl quinoxaline-2-carboxylate;1H-pyrrole?
The canonical SMILES for ethyl quinoxaline-2-carboxylate;1H-pyrrole is CCOC(=O)c1cnc2ccccc2n1.c1cc[nH]c1.
What is the InChIKey of ethyl quinoxaline-2-carboxylate;1H-pyrrole?
The InChIKey is LDGGERDZGXQLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.C4H5N/c1-2-15-11(14)10-7-12-8-5-3-4-6-9(8)13-10;1-2-4-5-3-1/h3-7H,2H2,1H3;1-5H.
What are the key properties of ethyl quinoxaline-2-carboxylate;1H-pyrrole?
ethyl quinoxaline-2-carboxylate;1H-pyrrole has a molecular weight of 269.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl quinoxaline-2-carboxylate;1H-pyrrole is sourced from PubChem (CID 175129436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).