[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate

C23H17NO7 — CID 19186639

IUPAC[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate
SMILESCC(C)NC(=O)c1cc2ccc(OC(=O)c3cc4ccccc4oc3=O)cc2oc1=O
InChIInChI=1S/C23H17NO7/c1-12(2)24-20(25)16-9-14-7-8-15(11-19(14)31-21(16)26)29-22(27)17-10-13-5-3-4-6-18(13)30-23(17)28/h3-12H,1-2H3,(H,24,25)
InChIKeyHBQNGFUGCIRZNW-UHFFFAOYSA-N
MW419.39 g/mol
LogP3.26
Rot. Bonds4

About [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate

[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate (PubChem CID 19186639) has the molecular formula C23H17NO7 and a molecular weight of 419.39 g/mol. Its IUPAC name is [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate
PubChem CID19186639
Molecular FormulaC23H17NO7
Molecular Weight419.39 g/mol
Exact Mass419.10
IUPAC Name[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate
SMILESCC(C)NC(=O)c1cc2ccc(OC(=O)c3cc4ccccc4oc3=O)cc2oc1=O
InChIInChI=1S/C23H17NO7/c1-12(2)24-20(25)16-9-14-7-8-15(11-19(14)31-21(16)26)29-22(27)17-10-13-5-3-4-6-18(13)30-23(17)28/h3-12H,1-2H3,(H,24,25)
InChIKeyHBQNGFUGCIRZNW-UHFFFAOYSA-N
XLogP3.26
TPSA115.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate
CID 19185609
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 3-bromobenzoate
CID 19186126
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 3-phenylpropanoate
CID 19185737
2-[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl]oxy-2-phenylacetic acid
CID 22684544
ethyl 7-(1-benzofuran-2-carbonyloxy)-2-oxochromene-3-carboxylate
CID 19189332
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 4-methyl-3-nitrobenzoate
CID 19186090
[2-oxo-2-(propan-2-ylamino)ethyl] 2-oxochromene-3-carboxylate
CID 7785493
[3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate
CID 19185797
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate
CID 19170323
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 19187459
[2-oxo-3-(propylcarbamoyl)chromen-7-yl] benzoate
CID 19185805
[2-oxo-3-(1-phenylethylcarbamoyl)chromen-7-yl] 3,4,5-triethoxybenzoate
CID 19186177

Frequently Asked Questions

What is the IUPAC name of [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate?
The IUPAC name of [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate (CID 19186639) is [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate.
What is the SMILES notation for [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate?
The canonical SMILES for [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate is CC(C)NC(=O)c1cc2ccc(OC(=O)c3cc4ccccc4oc3=O)cc2oc1=O.
What is the InChIKey of [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate?
The InChIKey is HBQNGFUGCIRZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO7/c1-12(2)24-20(25)16-9-14-7-8-15(11-19(14)31-21(16)26)29-22(27)17-10-13-5-3-4-6-18(13)30-23(17)28/h3-12H,1-2H3,(H,24,25).
What are the key properties of [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate?
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate has a molecular weight of 419.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate is sourced from PubChem (CID 19186639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).