3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid

C22H17NO5 — CID 135787058

IUPAC3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid
SMILESCC(C)c1ccc2nc(C3=C(O)c4cc(C(=O)O)ccc4C3=O)c(O)cc2c1
InChIInChI=1S/C22H17NO5/c1-10(2)11-4-6-16-13(7-11)9-17(24)19(23-16)18-20(25)14-5-3-12(22(27)28)8-15(14)21(18)26/h3-10,24,26H,1-2H3,(H,27,28)
InChIKeyFIHFBFCNNMETSZ-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.38
Rot. Bonds3

About 3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid

3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid (PubChem CID 135787058) has the molecular formula C22H17NO5 and a molecular weight of 375.38 g/mol. Its IUPAC name is 3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid
PubChem CID135787058
Molecular FormulaC22H17NO5
Molecular Weight375.38 g/mol
Exact Mass375.11
IUPAC Name3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid
SMILESCC(C)c1ccc2nc(C3=C(O)c4cc(C(=O)O)ccc4C3=O)c(O)cc2c1
InChIInChI=1S/C22H17NO5/c1-10(2)11-4-6-16-13(7-11)9-17(24)19(23-16)18-20(25)14-5-3-12(22(27)28)8-15(14)21(18)26/h3-10,24,26H,1-2H3,(H,27,28)
InChIKeyFIHFBFCNNMETSZ-UHFFFAOYSA-N
XLogP4.38
TPSA107.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}

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Related Compounds

[3-(2-tert-butyl-2,4-dimethylpentanoyl)oxy-2-hydroxypropyl] 1-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-6-methyl-3-oxoindene-5-carboxylate
CID 144530848
6-propan-2-ylquinoline-3-carboxylic acid
CID 82113674
(2R)-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-N,N-bis(2-methylpropyl)-1,3-dioxoindene-5-carboxamide
CID 130207081
2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione
CID 20695798
6-propan-2-ylquinazoline-2-carboxylic acid
CID 178019149
4-fluoro-3-(3-propan-2-ylphenyl)benzoic acid
CID 175665590
[(Z)-butan-2-ylideneamino] N-[3-hydroxy-1-oxo-2-(6-propan-2-ylquinolin-2-yl)inden-5-yl]carbamate
CID 172985634
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid
CID 12562128
4-methyl-3-(4-propan-2-ylphenyl)benzoic acid
CID 67519519
4-chloro-3-(4-propan-2-ylphenyl)benzoic acid
CID 82124138
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid?
The IUPAC name of 3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid (CID 135787058) is 3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid.
What is the SMILES notation for 3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid?
The canonical SMILES for 3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid is CC(C)c1ccc2nc(C3=C(O)c4cc(C(=O)O)ccc4C3=O)c(O)cc2c1.
What is the InChIKey of 3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid?
The InChIKey is FIHFBFCNNMETSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO5/c1-10(2)11-4-6-16-13(7-11)9-17(24)19(23-16)18-20(25)14-5-3-12(22(27)28)8-15(14)21(18)26/h3-10,24,26H,1-2H3,(H,27,28).
What are the key properties of 3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid?
3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid has a molecular weight of 375.38 g/mol, XLogP of 4.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)-1-oxoindene-5-carboxylic acid is sourced from PubChem (CID 135787058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).