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

C16H13NO5 — CID 70690513

IUPAC6-(furan-3-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CCO)c2ccc(-c3ccoc3)cc2c1=O
InChIInChI=1S/C16H13NO5/c18-5-4-17-8-13(16(20)21)15(19)12-7-10(1-2-14(12)17)11-3-6-22-9-11/h1-3,6-9,18H,4-5H2,(H,20,21)
InChIKeyPMRRFUJDBVUQCP-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.95
Rot. Bonds4

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

6-(furan-3-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 70690513) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is 6-(furan-3-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-(furan-3-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID70690513
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name6-(furan-3-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CCO)c2ccc(-c3ccoc3)cc2c1=O
InChIInChI=1S/C16H13NO5/c18-5-4-17-8-13(16(20)21)15(19)12-7-10(1-2-14(12)17)11-3-6-22-9-11/h1-3,6-9,18H,4-5H2,(H,20,21)
InChIKeyPMRRFUJDBVUQCP-UHFFFAOYSA-N
XLogP1.95
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-(furan-3-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid (CID 70690513) is 6-(furan-3-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-(furan-3-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-(furan-3-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(CCO)c2ccc(-c3ccoc3)cc2c1=O.
What is the InChIKey of 6-(furan-3-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is PMRRFUJDBVUQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c18-5-4-17-8-13(16(20)21)15(19)12-7-10(1-2-14(12)17)11-3-6-22-9-11/h1-3,6-9,18H,4-5H2,(H,20,21).
What are the key properties of 6-(furan-3-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
6-(furan-3-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 299.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 70690513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).