2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid

C23H19NO6 — CID 54343641

IUPAC2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid
SMILESCOc1ccccc1C=C1CCCc2c1oc1ccc(NC(=O)C(=O)O)cc1c2=O
InChIInChI=1S/C23H19NO6/c1-29-18-8-3-2-5-13(18)11-14-6-4-7-16-20(25)17-12-15(24-22(26)23(27)28)9-10-19(17)30-21(14)16/h2-3,5,8-12H,4,6-7H2,1H3,(H,24,26)(H,27,28)
InChIKeyUASRWSCIBFKVHH-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.70
Rot. Bonds3

About 2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid

2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid (PubChem CID 54343641) has the molecular formula C23H19NO6 and a molecular weight of 405.41 g/mol. Its IUPAC name is 2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid
PubChem CID54343641
Molecular FormulaC23H19NO6
Molecular Weight405.41 g/mol
Exact Mass405.12
IUPAC Name2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid
SMILESCOc1ccccc1C=C1CCCc2c1oc1ccc(NC(=O)C(=O)O)cc1c2=O
InChIInChI=1S/C23H19NO6/c1-29-18-8-3-2-5-13(18)11-14-6-4-7-16-20(25)17-12-15(24-22(26)23(27)28)9-10-19(17)30-21(14)16/h2-3,5,8-12H,4,6-7H2,1H3,(H,24,26)(H,27,28)
InChIKeyUASRWSCIBFKVHH-UHFFFAOYSA-N
XLogP3.70
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid with MolForge

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Related Compounds

2-[[(3E)-3-[(4-methoxyphenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]amino]-2-oxoacetic acid
CID 70431210
5-[(2,5-dimethylphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthene-2-carboxylic acid
CID 54534311
2-[[3-[(3-chlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]amino]-2-oxoacetic acid
CID 54407358
N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide
CID 24897851
2-[[3-[(2-ethoxyphenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]oxy]acetic acid
CID 54370253
3-[(2,5-dimethoxyphenyl)methylidene]-7-(2H-tetrazol-5-yl)-1,2-dihydrocyclopenta[b]chromen-9-one
CID 54231308
methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate
CID 151991831
(Z)-4-[[(3E)-3-benzylidene-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]amino]-4-oxobut-2-enoic acid
CID 70430753
(3E)-3-[(4-fluorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromene-7-carboxylic acid
CID 13375226
(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one
CID 121461091
(E)-2-benzoyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9448951
(3E)-3-[(2-methoxyphenyl)methylidene]oxolane-2,5-dione
CID 82158591

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid (CID 54343641) is 2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid is COc1ccccc1C=C1CCCc2c1oc1ccc(NC(=O)C(=O)O)cc1c2=O.
What is the InChIKey of 2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid?
The InChIKey is UASRWSCIBFKVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO6/c1-29-18-8-3-2-5-13(18)11-14-6-4-7-16-20(25)17-12-15(24-22(26)23(27)28)9-10-19(17)30-21(14)16/h2-3,5,8-12H,4,6-7H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid?
2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid has a molecular weight of 405.41 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-methoxyphenyl)methylidene]-9-oxo-7,8-dihydro-6H-xanthen-2-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 54343641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).