6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one

C12H6F2N2OS — CID 163404502

IUPAC6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccsc2)nc2cc(F)c(F)cc12
InChIInChI=1S/C12H6F2N2OS/c13-8-3-7-10(4-9(8)14)15-11(16-12(7)17)6-1-2-18-5-6/h1-5H,(H,15,16,17)
InChIKeyYGDMYXDCCNFCKT-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.93
Rot. Bonds1

About 6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one

6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one (PubChem CID 163404502) has the molecular formula C12H6F2N2OS and a molecular weight of 264.26 g/mol. Its IUPAC name is 6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one
PubChem CID163404502
Molecular FormulaC12H6F2N2OS
Molecular Weight264.26 g/mol
Exact Mass264.02
IUPAC Name6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccsc2)nc2cc(F)c(F)cc12
InChIInChI=1S/C12H6F2N2OS/c13-8-3-7-10(4-9(8)14)15-11(16-12(7)17)6-1-2-18-5-6/h1-5H,(H,15,16,17)
InChIKeyYGDMYXDCCNFCKT-UHFFFAOYSA-N
XLogP2.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.93
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-thiophen-3-yl-3H-quinazolin-4-one?
The IUPAC name of 6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one (CID 163404502) is 6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one?
The canonical SMILES for 6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one is O=c1[nH]c(-c2ccsc2)nc2cc(F)c(F)cc12.
What is the InChIKey of 6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one?
The InChIKey is YGDMYXDCCNFCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2OS/c13-8-3-7-10(4-9(8)14)15-11(16-12(7)17)6-1-2-18-5-6/h1-5H,(H,15,16,17).
What are the key properties of 6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one?
6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one has a molecular weight of 264.26 g/mol, XLogP of 2.93, 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-thiophen-3-yl-3H-quinazolin-4-one is sourced from PubChem (CID 163404502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).