5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid

C21H20N2O4 — CID 134140886

IUPAC5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccc4cccnc4c3)CCCC2)cc(O)c1=O
InChIInChI=1S/C21H20N2O4/c24-18-12-23(11-16(19(18)25)20(26)27)13-21(7-1-2-8-21)15-6-5-14-4-3-9-22-17(14)10-15/h3-6,9-12,24H,1-2,7-8,13H2,(H,26,27)
InChIKeyZTQHBMPUEALCRH-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.31
Rot. Bonds4

About 5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid

5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid (PubChem CID 134140886) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
PubChem CID134140886
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccc4cccnc4c3)CCCC2)cc(O)c1=O
InChIInChI=1S/C21H20N2O4/c24-18-12-23(11-16(19(18)25)20(26)27)13-21(7-1-2-8-21)15-6-5-14-4-3-9-22-17(14)10-15/h3-6,9-12,24H,1-2,7-8,13H2,(H,26,27)
InChIKeyZTQHBMPUEALCRH-UHFFFAOYSA-N
XLogP3.31
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid (CID 134140886) is 5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid is O=C(O)c1cn(CC2(c3ccc4cccnc4c3)CCCC2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid?
The InChIKey is ZTQHBMPUEALCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-18-12-23(11-16(19(18)25)20(26)27)13-21(7-1-2-8-21)15-6-5-14-4-3-9-22-17(14)10-15/h3-6,9-12,24H,1-2,7-8,13H2,(H,26,27).
What are the key properties of 5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 134140886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).