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

C16H13NO5 — CID 70684219

IUPAC7-(furan-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CCO)c2cc(-c3ccco3)ccc2c1=O
InChIInChI=1S/C16H13NO5/c18-6-5-17-9-12(16(20)21)15(19)11-4-3-10(8-13(11)17)14-2-1-7-22-14/h1-4,7-9,18H,5-6H2,(H,20,21)
InChIKeyDHTRCLBZUKLFAI-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.95
Rot. Bonds4

About 7-(furan-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid

7-(furan-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 70684219) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is 7-(furan-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(furan-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID70684219
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name7-(furan-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CCO)c2cc(-c3ccco3)ccc2c1=O
InChIInChI=1S/C16H13NO5/c18-6-5-17-9-12(16(20)21)15(19)11-4-3-10(8-13(11)17)14-2-1-7-22-14/h1-4,7-9,18H,5-6H2,(H,20,21)
InChIKeyDHTRCLBZUKLFAI-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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Related Compounds

1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 1476756
Droxacin
CID 170314
1-(3-carboxypropyl)-4-oxo-5-[(E)-2-[4-(4-phenoxybutoxy)phenyl]ethenyl]quinoline-3-carboxylic acid
CID 118729614
1-(3-Methoxybenzyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
CID 46225517
6-(Benzofuran-2-yl)-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic acid
CID 70690514
5-Methoxy-8-oxo-2,3-dihydrofuro[2,3-g]quinoline-7-carboxylic acid
CID 12367734
1-(4-Methoxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 71734785
Droxacin Sodium
CID 170313
1-Ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid
CID 14708900
1-(2-Hydroxyethyl)-6-(4-methoxyphenyl)-4-oxo-quinoline-3-carboxylic acid
CID 70684217
6-(2-Furyl)-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic acid
CID 70686355
6-(3-Furyl)-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic acid
CID 70690513

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-(furan-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid (CID 70684219) is 7-(furan-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-(furan-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-(furan-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(CCO)c2cc(-c3ccco3)ccc2c1=O.
What is the InChIKey of 7-(furan-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is DHTRCLBZUKLFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c18-6-5-17-9-12(16(20)21)15(19)11-4-3-10(8-13(11)17)14-2-1-7-22-14/h1-4,7-9,18H,5-6H2,(H,20,21).
What are the key properties of 7-(furan-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
7-(furan-2-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 7-(furan-2-yl)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 70684219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).