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

C26H21N3O5 — CID 156705111

IUPAC5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12
InChIInChI=1S/C26H21N3O5/c30-25(29-12-11-28(16-5-6-16)21-3-1-2-4-22(21)29)19-14-27-10-9-24(19)34-17-7-8-23-18(13-17)20(15-33-23)26(31)32/h1-4,7-10,13-16H,5-6,11-12H2,(H,31,32)
InChIKeyRIKIRZNHNNUOQE-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.95
Rot. Bonds5

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

5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid (PubChem CID 156705111) has the molecular formula C26H21N3O5 and a molecular weight of 455.47 g/mol. Its IUPAC name is 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid
PubChem CID156705111
Molecular FormulaC26H21N3O5
Molecular Weight455.47 g/mol
Exact Mass455.15
IUPAC Name5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12
InChIInChI=1S/C26H21N3O5/c30-25(29-12-11-28(16-5-6-16)21-3-1-2-4-22(21)29)19-14-27-10-9-24(19)34-17-7-8-23-18(13-17)20(15-33-23)26(31)32/h1-4,7-10,13-16H,5-6,11-12H2,(H,31,32)
InChIKeyRIKIRZNHNNUOQE-UHFFFAOYSA-N
XLogP4.95
TPSA96.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid (CID 156705111) is 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid is O=C(O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12.
What is the InChIKey of 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid?
The InChIKey is RIKIRZNHNNUOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5/c30-25(29-12-11-28(16-5-6-16)21-3-1-2-4-22(21)29)19-14-27-10-9-24(19)34-17-7-8-23-18(13-17)20(15-33-23)26(31)32/h1-4,7-10,13-16H,5-6,11-12H2,(H,31,32).
What are the key properties of 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid?
5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid has a molecular weight of 455.47 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 156705111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).