6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one

C12H6F2N2O2 — CID 163404405

IUPAC6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccco2)nc2cc(F)c(F)cc12
InChIInChI=1S/C12H6F2N2O2/c13-7-4-6-9(5-8(7)14)15-11(16-12(6)17)10-2-1-3-18-10/h1-5H,(H,15,16,17)
InChIKeyRJFPRQFMVOQBLQ-UHFFFAOYSA-N
MW248.19 g/mol
LogP2.46
Rot. Bonds1

About 6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one

6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one (PubChem CID 163404405) has the molecular formula C12H6F2N2O2 and a molecular weight of 248.19 g/mol. Its IUPAC name is 6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one
PubChem CID163404405
Molecular FormulaC12H6F2N2O2
Molecular Weight248.19 g/mol
Exact Mass248.04
IUPAC Name6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccco2)nc2cc(F)c(F)cc12
InChIInChI=1S/C12H6F2N2O2/c13-7-4-6-9(5-8(7)14)15-11(16-12(6)17)10-2-1-3-18-10/h1-5H,(H,15,16,17)
InChIKeyRJFPRQFMVOQBLQ-UHFFFAOYSA-N
XLogP2.46
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one?
The IUPAC name of 6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one (CID 163404405) is 6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccco2)nc2cc(F)c(F)cc12.
What is the InChIKey of 6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one?
The InChIKey is RJFPRQFMVOQBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2O2/c13-7-4-6-9(5-8(7)14)15-11(16-12(6)17)10-2-1-3-18-10/h1-5H,(H,15,16,17).
What are the key properties of 6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one?
6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one has a molecular weight of 248.19 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 163404405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).