methyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate

C27H23N3O5 — CID 156705093

IUPACmethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12
InChIInChI=1S/C27H23N3O5/c1-33-27(32)21-16-34-24-9-8-18(14-19(21)24)35-25-10-11-28-15-20(25)26(31)30-13-12-29(17-6-7-17)22-4-2-3-5-23(22)30/h2-5,8-11,14-17H,6-7,12-13H2,1H3
InChIKeyIRSLHVSOSFYKNS-UHFFFAOYSA-N
MW469.50 g/mol
LogP5.04
Rot. Bonds5

About methyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate

methyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate (PubChem CID 156705093) has the molecular formula C27H23N3O5 and a molecular weight of 469.50 g/mol. Its IUPAC name is methyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
PubChem CID156705093
Molecular FormulaC27H23N3O5
Molecular Weight469.50 g/mol
Exact Mass469.16
IUPAC Namemethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12
InChIInChI=1S/C27H23N3O5/c1-33-27(32)21-16-34-24-9-8-18(14-19(21)24)35-25-10-11-28-15-20(25)26(31)30-13-12-29(17-6-7-17)22-4-2-3-5-23(22)30/h2-5,8-11,14-17H,6-7,12-13H2,1H3
InChIKeyIRSLHVSOSFYKNS-UHFFFAOYSA-N
XLogP5.04
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.50
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[4-[(6-Chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 90644451
(4-Cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone
CID 71626699
[4-(1-Benzofuran-5-yloxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71626492
[4-(1-Benzofuran-6-yloxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71626556
Ethyl 6-chloro-5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
CID 77845059
6-Chloro-5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid
CID 77845060
3-[6-Chloro-5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-yl]propanoic acid
CID 77845284
6-Chloro-5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-3-methyl-1-benzofuran-2-carboxylic acid
CID 90327488
Ethyl 2-[3-[6-chloro-5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-yl]propanoylamino]acetate
CID 90327533
Ethoxycarbonyloxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
CID 156705083
2-Methoxyethoxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
CID 156705085
Propyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
CID 156705090

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate (CID 156705093) is methyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate is COC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12.
What is the InChIKey of methyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
The InChIKey is IRSLHVSOSFYKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O5/c1-33-27(32)21-16-34-24-9-8-18(14-19(21)24)35-25-10-11-28-15-20(25)26(31)30-13-12-29(17-6-7-17)22-4-2-3-5-23(22)30/h2-5,8-11,14-17H,6-7,12-13H2,1H3.
What are the key properties of methyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
methyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate has a molecular weight of 469.50 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate is sourced from PubChem (CID 156705093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).