methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate

C21H16N2O5 — CID 168551557

IUPACmethyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccccc2-c2nc3ccccc3c(=O)[nH]2)o1
InChIInChI=1S/C21H16N2O5/c1-26-21(25)18-11-10-13(28-18)12-27-17-9-5-3-7-15(17)19-22-16-8-4-2-6-14(16)20(24)23-19/h2-11H,12H2,1H3,(H,22,23,24)
InChIKeyQJKQOTXCBJFONT-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.55
Rot. Bonds5

About methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate

methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate (PubChem CID 168551557) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate
PubChem CID168551557
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC Namemethyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccccc2-c2nc3ccccc3c(=O)[nH]2)o1
InChIInChI=1S/C21H16N2O5/c1-26-21(25)18-11-10-13(28-18)12-27-17-9-5-3-7-15(17)19-22-16-8-4-2-6-14(16)20(24)23-19/h2-11H,12H2,1H3,(H,22,23,24)
InChIKeyQJKQOTXCBJFONT-UHFFFAOYSA-N
XLogP3.55
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate (CID 168551557) is methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2ccccc2-c2nc3ccccc3c(=O)[nH]2)o1.
What is the InChIKey of methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate?
The InChIKey is QJKQOTXCBJFONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5/c1-26-21(25)18-11-10-13(28-18)12-27-17-9-5-3-7-15(17)19-22-16-8-4-2-6-14(16)20(24)23-19/h2-11H,12H2,1H3,(H,22,23,24).
What are the key properties of methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate?
methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate has a molecular weight of 376.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate is sourced from PubChem (CID 168551557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).