5,6-difluoro-6H-quinazolin-4-one

C8H4F2N2O — CID 78166508

IUPAC5,6-difluoro-6H-quinazolin-4-one
SMILESO=C1N=CN=C2C=CC(F)C(F)=C12
InChIInChI=1S/C8H4F2N2O/c9-4-1-2-5-6(7(4)10)8(13)12-3-11-5/h1-4H
InChIKeyGTVOUVBFUNIFBD-UHFFFAOYSA-N
MW182.13 g/mol
LogP1.13
Rot. Bonds

About 5,6-difluoro-6H-quinazolin-4-one

5,6-difluoro-6H-quinazolin-4-one (PubChem CID 78166508) has the molecular formula C8H4F2N2O and a molecular weight of 182.13 g/mol. Its IUPAC name is 5,6-difluoro-6H-quinazolin-4-one.

Molecular Properties

Compound Name5,6-difluoro-6H-quinazolin-4-one
PubChem CID78166508
Molecular FormulaC8H4F2N2O
Molecular Weight182.13 g/mol
Exact Mass182.03
IUPAC Name5,6-difluoro-6H-quinazolin-4-one
SMILESO=C1N=CN=C2C=CC(F)C(F)=C12
InChIInChI=1S/C8H4F2N2O/c9-4-1-2-5-6(7(4)10)8(13)12-3-11-5/h1-4H
InChIKeyGTVOUVBFUNIFBD-UHFFFAOYSA-N
XLogP1.13
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Fluoroquinazolin-4(4aH)-one
CID 71304042
6-fluoro-8H-quinazolin-4-one
CID 90734363
7-fluoro-6H-quinazolin-4-one
CID 90958016
2-chloro-6-fluoro-6H-quinazolin-4-one
CID 71302510
6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one
CID 71303963
6-fluoro-6H-quinazolin-4-one
CID 71303964
6-Fluoro-4(4aH)-quinazolinone
CID 71650446
5,8-difluoro-4aH-quinazolin-4-one
CID 72534678
7-(trifluoromethyl)-4aH-quinazolin-4-one
CID 72733956
6-(trifluoromethyl)-4aH-quinazolin-4-one
CID 72737856
5,7-difluoro-4aH-quinazolin-4-one
CID 73158524
5,8-difluoro-2-methyl-8H-quinazolin-4-one
CID 73414900

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-6H-quinazolin-4-one?
The IUPAC name of 5,6-difluoro-6H-quinazolin-4-one (CID 78166508) is 5,6-difluoro-6H-quinazolin-4-one.
What is the SMILES notation for 5,6-difluoro-6H-quinazolin-4-one?
The canonical SMILES for 5,6-difluoro-6H-quinazolin-4-one is O=C1N=CN=C2C=CC(F)C(F)=C12.
What is the InChIKey of 5,6-difluoro-6H-quinazolin-4-one?
The InChIKey is GTVOUVBFUNIFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O/c9-4-1-2-5-6(7(4)10)8(13)12-3-11-5/h1-4H.
What are the key properties of 5,6-difluoro-6H-quinazolin-4-one?
5,6-difluoro-6H-quinazolin-4-one has a molecular weight of 182.13 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-6H-quinazolin-4-one is sourced from PubChem (CID 78166508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).