ethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate

C25H21N3O5 — CID 156705095

IUPACethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCNc4ccccc43)cc12
InChIInChI=1S/C25H21N3O5/c1-2-31-25(30)19-15-32-22-8-7-16(13-17(19)22)33-23-9-10-26-14-18(23)24(29)28-12-11-27-20-5-3-4-6-21(20)28/h3-10,13-15,27H,2,11-12H2,1H3
InChIKeyRLLBOZVQTJDSQI-UHFFFAOYSA-N
MW443.46 g/mol
LogP4.87
Rot. Bonds5

About ethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate

ethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate (PubChem CID 156705095) has the molecular formula C25H21N3O5 and a molecular weight of 443.46 g/mol. Its IUPAC name is ethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
PubChem CID156705095
Molecular FormulaC25H21N3O5
Molecular Weight443.46 g/mol
Exact Mass443.15
IUPAC Nameethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCNc4ccccc43)cc12
InChIInChI=1S/C25H21N3O5/c1-2-31-25(30)19-15-32-22-8-7-16(13-17(19)22)33-23-9-10-26-14-18(23)24(29)28-12-11-27-20-5-3-4-6-21(20)28/h3-10,13-15,27H,2,11-12H2,1H3
InChIKeyRLLBOZVQTJDSQI-UHFFFAOYSA-N
XLogP4.87
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
CID 156705092
2-methoxyethoxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
CID 156705085
[4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71626768
[4-[2,5-dichloro-4-(3-pyridin-1-ium-1-ylpropyl)phenoxy]-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone
CID 123497305
ethyl 6-chloro-5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-3-methyl-1-benzofuran-2-carboxylate
CID 90644459
ethoxymethyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]acetate
CID 156705107
[4-[(6-chloro-3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 162700769
[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71459275
[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone
CID 59294486
(2-methylfuran-3-yl)-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 64852371
methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate
CID 175119495
methyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate
CID 156705084

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate (CID 156705095) is ethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate is CCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCNc4ccccc43)cc12.
What is the InChIKey of ethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
The InChIKey is RLLBOZVQTJDSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O5/c1-2-31-25(30)19-15-32-22-8-7-16(13-17(19)22)33-23-9-10-26-14-18(23)24(29)28-12-11-27-20-5-3-4-6-21(20)28/h3-10,13-15,27H,2,11-12H2,1H3.
What are the key properties of ethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
ethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate has a molecular weight of 443.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[3-(3,4-dihydro-2H-quinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate is sourced from PubChem (CID 156705095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).