6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid

C20H15NO5 — CID 70690514

IUPAC6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CCO)c2ccc(-c3cc4ccccc4o3)cc2c1=O
InChIInChI=1S/C20H15NO5/c22-8-7-21-11-15(20(24)25)19(23)14-9-13(5-6-16(14)21)18-10-12-3-1-2-4-17(12)26-18/h1-6,9-11,22H,7-8H2,(H,24,25)
InChIKeyIJMDTMASYFVLGQ-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.11
Rot. Bonds4

About 6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid

6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 70690514) has the molecular formula C20H15NO5 and a molecular weight of 349.34 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID70690514
Molecular FormulaC20H15NO5
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CCO)c2ccc(-c3cc4ccccc4o3)cc2c1=O
InChIInChI=1S/C20H15NO5/c22-8-7-21-11-15(20(24)25)19(23)14-9-13(5-6-16(14)21)18-10-12-3-1-2-4-17(12)26-18/h1-6,9-11,22H,7-8H2,(H,24,25)
InChIKeyIJMDTMASYFVLGQ-UHFFFAOYSA-N
XLogP3.11
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid (CID 70690514) is 6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(CCO)c2ccc(-c3cc4ccccc4o3)cc2c1=O.
What is the InChIKey of 6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is IJMDTMASYFVLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO5/c22-8-7-21-11-15(20(24)25)19(23)14-9-13(5-6-16(14)21)18-10-12-3-1-2-4-17(12)26-18/h1-6,9-11,22H,7-8H2,(H,24,25).
What are the key properties of 6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 349.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 70690514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).