4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione

C25H16N2O3 — CID 89321859

IUPAC4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione
SMILESO=C1C(=O)C(=Cc2ccc3ccccc3n2)C(O)C1=C=C1C=Cc2ccccc2N1
InChIInChI=1S/C25H16N2O3/c28-23-19(13-17-11-9-15-5-1-3-7-21(15)26-17)24(29)25(30)20(23)14-18-12-10-16-6-2-4-8-22(16)27-18/h1-13,23,27-28H
InChIKeyYKQRWSLDBHLPQJ-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.68
Rot. Bonds1

About 4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione

4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione (PubChem CID 89321859) has the molecular formula C25H16N2O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione.

Molecular Properties

Compound Name4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione
PubChem CID89321859
Molecular FormulaC25H16N2O3
Molecular Weight392.41 g/mol
Exact Mass392.12
IUPAC Name4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione
SMILESO=C1C(=O)C(=Cc2ccc3ccccc3n2)C(O)C1=C=C1C=Cc2ccccc2N1
InChIInChI=1S/C25H16N2O3/c28-23-19(13-17-11-9-15-5-1-3-7-21(15)26-17)24(29)25(30)20(23)14-18-12-10-16-6-2-4-8-22(16)27-18/h1-13,23,27-28H
InChIKeyYKQRWSLDBHLPQJ-UHFFFAOYSA-N
XLogP3.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione with MolForge

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Launch Full Analysis

Related Compounds

2-(1H-quinolin-2-ylidenemethyl)quinoline
CID 15759362
(5E)-5-(quinolin-2-ylmethylidene)-1,3-oxazolidine-2,4-dione
CID 70297069
2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one
CID 171406127
quinoline-2-carbaldehyde;hydrate
CID 158547927
3-quinolin-2-yl-1,3-dihydroindol-2-one
CID 58723455
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
2-(cyclohexylidenemethyl)quinoline
CID 11481481
(Z)-1-quinolin-2-yl-N-[(Z)-quinolin-2-ylmethylideneamino]methanimine
CID 6299697
2-(3-methylbuta-1,3-dienyl)quinoline
CID 1274018
(4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one
CID 98063836
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
2-(2-chloroprop-1-enyl)quinoline
CID 173335992

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione?
The IUPAC name of 4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione (CID 89321859) is 4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione.
What is the SMILES notation for 4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione?
The canonical SMILES for 4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione is O=C1C(=O)C(=Cc2ccc3ccccc3n2)C(O)C1=C=C1C=Cc2ccccc2N1.
What is the InChIKey of 4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione?
The InChIKey is YKQRWSLDBHLPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O3/c28-23-19(13-17-11-9-15-5-1-3-7-21(15)26-17)24(29)25(30)20(23)14-18-12-10-16-6-2-4-8-22(16)27-18/h1-13,23,27-28H.
What are the key properties of 4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione?
4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione has a molecular weight of 392.41 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(1H-quinolin-2-ylidenemethylidene)-5-(quinolin-2-ylmethylidene)cyclopentane-1,2-dione is sourced from PubChem (CID 89321859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).