3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid

C21H18N2O5 — CID 11303467

IUPAC3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid
SMILESO=C(O)CC(O)COc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1
InChIInChI=1S/C21H18N2O5/c24-14(10-20(25)26)11-28-15-5-6-18-13(7-15)9-19(22-18)16-8-12-3-1-2-4-17(12)23-21(16)27/h1-9,14,22,24H,10-11H2,(H,23,27)(H,25,26)
InChIKeyRDZQVSKKSMZQPP-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.89
Rot. Bonds6

About 3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid

3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid (PubChem CID 11303467) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid
PubChem CID11303467
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid
SMILESO=C(O)CC(O)COc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1
InChIInChI=1S/C21H18N2O5/c24-14(10-20(25)26)11-28-15-5-6-18-13(7-15)9-19(22-18)16-8-12-3-1-2-4-17(12)23-21(16)27/h1-9,14,22,24H,10-11H2,(H,23,27)(H,25,26)
InChIKeyRDZQVSKKSMZQPP-UHFFFAOYSA-N
XLogP2.89
TPSA115.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid?
The IUPAC name of 3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid (CID 11303467) is 3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid.
What is the SMILES notation for 3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid?
The canonical SMILES for 3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid is O=C(O)CC(O)COc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1.
What is the InChIKey of 3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid?
The InChIKey is RDZQVSKKSMZQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-14(10-20(25)26)11-28-15-5-6-18-13(7-15)9-19(22-18)16-8-12-3-1-2-4-17(12)23-21(16)27/h1-9,14,22,24H,10-11H2,(H,23,27)(H,25,26).
What are the key properties of 3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid?
3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid has a molecular weight of 378.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid is sourced from PubChem (CID 11303467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).