3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione

C13H10N2O3 — CID 117261833

IUPAC3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione
SMILESCc1cccc2c(=O)n(-c3ccco3)c(=O)[nH]c12
InChIInChI=1S/C13H10N2O3/c1-8-4-2-5-9-11(8)14-13(17)15(12(9)16)10-6-3-7-18-10/h2-7H,1H3,(H,14,17)
InChIKeyVOAPOZJRPMKAEP-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.58
Rot. Bonds1

About 3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione

3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione (PubChem CID 117261833) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione
PubChem CID117261833
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione
SMILESCc1cccc2c(=O)n(-c3ccco3)c(=O)[nH]c12
InChIInChI=1S/C13H10N2O3/c1-8-4-2-5-9-11(8)14-13(17)15(12(9)16)10-6-3-7-18-10/h2-7H,1H3,(H,14,17)
InChIKeyVOAPOZJRPMKAEP-UHFFFAOYSA-N
XLogP1.58
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione (CID 117261833) is 3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione is Cc1cccc2c(=O)n(-c3ccco3)c(=O)[nH]c12.
What is the InChIKey of 3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione?
The InChIKey is VOAPOZJRPMKAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-8-4-2-5-9-11(8)14-13(17)15(12(9)16)10-6-3-7-18-10/h2-7H,1H3,(H,14,17).
What are the key properties of 3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione?
3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione has a molecular weight of 242.23 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).