7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione

C12H7FN2O3 — CID 117261551

IUPAC7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(F)ccc2c(=O)n1-c1ccco1
InChIInChI=1S/C12H7FN2O3/c13-7-3-4-8-9(6-7)14-12(17)15(11(8)16)10-2-1-5-18-10/h1-6H,(H,14,17)
InChIKeyFKLQLUOMRNVIDM-UHFFFAOYSA-N
MW246.20 g/mol
LogP1.41
Rot. Bonds1

About 7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione

7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione (PubChem CID 117261551) has the molecular formula C12H7FN2O3 and a molecular weight of 246.20 g/mol. Its IUPAC name is 7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione
PubChem CID117261551
Molecular FormulaC12H7FN2O3
Molecular Weight246.20 g/mol
Exact Mass246.04
IUPAC Name7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(F)ccc2c(=O)n1-c1ccco1
InChIInChI=1S/C12H7FN2O3/c13-7-3-4-8-9(6-7)14-12(17)15(11(8)16)10-2-1-5-18-10/h1-6H,(H,14,17)
InChIKeyFKLQLUOMRNVIDM-UHFFFAOYSA-N
XLogP1.41
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione (CID 117261551) is 7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(F)ccc2c(=O)n1-c1ccco1.
What is the InChIKey of 7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione?
The InChIKey is FKLQLUOMRNVIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O3/c13-7-3-4-8-9(6-7)14-12(17)15(11(8)16)10-2-1-5-18-10/h1-6H,(H,14,17).
What are the key properties of 7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione?
7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione has a molecular weight of 246.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).