6-fluoro-1,4-dihydroquinazolin-4-ol

C8H7FN2O — CID 171384462

IUPAC6-fluoro-1,4-dihydroquinazolin-4-ol
SMILESOC1N=CNc2ccc(F)cc21
InChIInChI=1S/C8H7FN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4,8,12H,(H,10,11)
InChIKeyVFRBTMKRGPDGJM-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.27
Rot. Bonds

About 6-fluoro-1,4-dihydroquinazolin-4-ol

6-fluoro-1,4-dihydroquinazolin-4-ol (PubChem CID 171384462) has the molecular formula C8H7FN2O and a molecular weight of 166.15 g/mol. Its IUPAC name is 6-fluoro-1,4-dihydroquinazolin-4-ol.

Molecular Properties

Compound Name6-fluoro-1,4-dihydroquinazolin-4-ol
PubChem CID171384462
Molecular FormulaC8H7FN2O
Molecular Weight166.15 g/mol
Exact Mass166.05
IUPAC Name6-fluoro-1,4-dihydroquinazolin-4-ol
SMILESOC1N=CNc2ccc(F)cc21
InChIInChI=1S/C8H7FN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4,8,12H,(H,10,11)
InChIKeyVFRBTMKRGPDGJM-UHFFFAOYSA-N
XLogP1.27
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,4-dihydroquinazolin-4-ol?
The IUPAC name of 6-fluoro-1,4-dihydroquinazolin-4-ol (CID 171384462) is 6-fluoro-1,4-dihydroquinazolin-4-ol.
What is the SMILES notation for 6-fluoro-1,4-dihydroquinazolin-4-ol?
The canonical SMILES for 6-fluoro-1,4-dihydroquinazolin-4-ol is OC1N=CNc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1,4-dihydroquinazolin-4-ol?
The InChIKey is VFRBTMKRGPDGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4,8,12H,(H,10,11).
What are the key properties of 6-fluoro-1,4-dihydroquinazolin-4-ol?
6-fluoro-1,4-dihydroquinazolin-4-ol has a molecular weight of 166.15 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,4-dihydroquinazolin-4-ol is sourced from PubChem (CID 171384462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).