ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate

C23H17NO6 — CID 71753904

IUPACethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
SMILESCCOC(=O)C1Oc2c(c(=O)oc3ccccc23)C1c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C23H17NO6/c1-2-28-23(27)20-17(14-11-12-7-3-5-9-15(12)24-21(14)25)18-19(30-20)13-8-4-6-10-16(13)29-22(18)26/h3-11,17,20H,2H2,1H3,(H,24,25)
InChIKeyTZGXCSXIGQOZOY-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.09
Rot. Bonds3

About ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate

ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate (PubChem CID 71753904) has the molecular formula C23H17NO6 and a molecular weight of 403.39 g/mol. Its IUPAC name is ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
PubChem CID71753904
Molecular FormulaC23H17NO6
Molecular Weight403.39 g/mol
Exact Mass403.11
IUPAC Nameethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
SMILESCCOC(=O)C1Oc2c(c(=O)oc3ccccc23)C1c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C23H17NO6/c1-2-28-23(27)20-17(14-11-12-7-3-5-9-15(12)24-21(14)25)18-19(30-20)13-8-4-6-10-16(13)29-22(18)26/h3-11,17,20H,2H2,1H3,(H,24,25)
InChIKeyTZGXCSXIGQOZOY-UHFFFAOYSA-N
XLogP3.09
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
The IUPAC name of ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate (CID 71753904) is ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate is CCOC(=O)C1Oc2c(c(=O)oc3ccccc23)C1c1cc2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
The InChIKey is TZGXCSXIGQOZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO6/c1-2-28-23(27)20-17(14-11-12-7-3-5-9-15(12)24-21(14)25)18-19(30-20)13-8-4-6-10-16(13)29-22(18)26/h3-11,17,20H,2H2,1H3,(H,24,25).
What are the key properties of ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate has a molecular weight of 403.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 71753904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).