2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid

C13H8N2O4 — CID 73187726

IUPAC2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid
SMILESO=C(O)C1=CC=CC2=NC(c3ccco3)=NC(=O)C12
InChIInChI=1S/C13H8N2O4/c16-12-10-7(13(17)18)3-1-4-8(10)14-11(15-12)9-5-2-6-19-9/h1-6,10H,(H,17,18)
InChIKeyWENRNRSZVQJEOF-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.20
Rot. Bonds2

About 2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid

2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid (PubChem CID 73187726) has the molecular formula C13H8N2O4 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid
PubChem CID73187726
Molecular FormulaC13H8N2O4
Molecular Weight256.22 g/mol
Exact Mass256.05
IUPAC Name2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid
SMILESO=C(O)C1=CC=CC2=NC(c3ccco3)=NC(=O)C12
InChIInChI=1S/C13H8N2O4/c16-12-10-7(13(17)18)3-1-4-8(10)14-11(15-12)9-5-2-6-19-9/h1-6,10H,(H,17,18)
InChIKeyWENRNRSZVQJEOF-UHFFFAOYSA-N
XLogP1.20
TPSA92.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid (CID 73187726) is 2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid is O=C(O)C1=CC=CC2=NC(c3ccco3)=NC(=O)C12.
What is the InChIKey of 2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid?
The InChIKey is WENRNRSZVQJEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O4/c16-12-10-7(13(17)18)3-1-4-8(10)14-11(15-12)9-5-2-6-19-9/h1-6,10H,(H,17,18).
What are the key properties of 2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid?
2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid has a molecular weight of 256.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid is sourced from PubChem (CID 73187726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).