2-(3-hydroxyquinolin-2-yl)indene-1,3-dione

C18H11NO3 — CID 24228

IUPAC2-(3-hydroxyquinolin-2-yl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1c1nc2ccccc2cc1O
InChIInChI=1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,15,20H
InChIKeyFDTLQXNAPKJJAM-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.10
Rot. Bonds1

About 2-(3-hydroxyquinolin-2-yl)indene-1,3-dione

2-(3-hydroxyquinolin-2-yl)indene-1,3-dione (PubChem CID 24228) has the molecular formula C18H11NO3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(3-hydroxyquinolin-2-yl)indene-1,3-dione.

Molecular Properties

Compound Name2-(3-hydroxyquinolin-2-yl)indene-1,3-dione
PubChem CID24228
Molecular FormulaC18H11NO3
Molecular Weight289.29 g/mol
Exact Mass289.07
IUPAC Name2-(3-hydroxyquinolin-2-yl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1c1nc2ccccc2cc1O
InChIInChI=1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,15,20H
InChIKeyFDTLQXNAPKJJAM-UHFFFAOYSA-N
XLogP3.10
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Oxycinchophen
CID 10239
1H-Indene-1,3(2H)-dione, 2-(4-bromo-3-hydroxy-2-quinolinyl)-
CID 25152
3-Hydroxy-2-(3-hydroxy-2-quinolinyl)-1H-inden-1-one
CID 87299
N,N-di-n-butyl-2-(1,2-dihydro-3-hydroxy-6-isopropyl-2-quinolylidene)-1,3-dioxoindan-5-carboxamide
CID 20828069
8-Hydroxy-2-phenylquinoline-4-carboxylic acid
CID 251606
3-[(4-hydroxyphenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid
CID 135510260
2-(2-Hydroxyphenyl)-4-quinolinecarboxylic acid
CID 371223
2-(3-Hydroxyphenyl)quinoline-4-carboxylic acid
CID 673729
1H-Indene-5-carboxamide, 2-(4-bromo-3-hydroxy-2-quinolinyl)-2,3-dihydro-1,3-dioxo-N,N-dipropyl-
CID 14453135
1H-Inden-1-one, 6-(2,5-dimethylbenzoyl)-3-hydroxy-2-(3-hydroxy-2-quinolinyl)-
CID 136170940
4-[2-(8-Hydroxy-2-quinolinyl)vinyl]benzoic acid
CID 5730126
(8-Hydroxy-2-quinolinyl)(phenyl)methanone
CID 370206

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyquinolin-2-yl)indene-1,3-dione?
The IUPAC name of 2-(3-hydroxyquinolin-2-yl)indene-1,3-dione (CID 24228) is 2-(3-hydroxyquinolin-2-yl)indene-1,3-dione.
What is the SMILES notation for 2-(3-hydroxyquinolin-2-yl)indene-1,3-dione?
The canonical SMILES for 2-(3-hydroxyquinolin-2-yl)indene-1,3-dione is O=C1c2ccccc2C(=O)C1c1nc2ccccc2cc1O.
What is the InChIKey of 2-(3-hydroxyquinolin-2-yl)indene-1,3-dione?
The InChIKey is FDTLQXNAPKJJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,15,20H.
What are the key properties of 2-(3-hydroxyquinolin-2-yl)indene-1,3-dione?
2-(3-hydroxyquinolin-2-yl)indene-1,3-dione has a molecular weight of 289.29 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyquinolin-2-yl)indene-1,3-dione is sourced from PubChem (CID 24228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).