methyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate

C15H12N2O4 — CID 4786350

IUPACmethyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ncnc3ccccc23)o1
InChIInChI=1S/C15H12N2O4/c1-19-15(18)13-7-6-10(21-13)8-20-14-11-4-2-3-5-12(11)16-9-17-14/h2-7,9H,8H2,1H3
InChIKeyKWRVYFUXQYZKJT-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.59
Rot. Bonds4

About methyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate

methyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate (PubChem CID 4786350) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is methyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate
PubChem CID4786350
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Namemethyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ncnc3ccccc23)o1
InChIInChI=1S/C15H12N2O4/c1-19-15(18)13-7-6-10(21-13)8-20-14-11-4-2-3-5-12(11)16-9-17-14/h2-7,9H,8H2,1H3
InChIKeyKWRVYFUXQYZKJT-UHFFFAOYSA-N
XLogP2.59
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate (CID 4786350) is methyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate is COC(=O)c1ccc(COc2ncnc3ccccc23)o1.
What is the InChIKey of methyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate?
The InChIKey is KWRVYFUXQYZKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-19-15(18)13-7-6-10(21-13)8-20-14-11-4-2-3-5-12(11)16-9-17-14/h2-7,9H,8H2,1H3.
What are the key properties of methyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate?
methyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate is sourced from PubChem (CID 4786350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).