8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one

C8H7FN2O2 — CID 137382819

IUPAC8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2c(O)ccc(F)c2N1
InChIInChI=1S/C8H7FN2O2/c9-5-1-2-6(12)4-3-10-8(13)11-7(4)5/h1-2,12H,3H2,(H2,10,11,13)
InChIKeyDDNWGTHRFWQAJM-UHFFFAOYSA-N
MW182.15 g/mol
LogP1.17
Rot. Bonds

About 8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one

8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 137382819) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one
PubChem CID137382819
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2c(O)ccc(F)c2N1
InChIInChI=1S/C8H7FN2O2/c9-5-1-2-6(12)4-3-10-8(13)11-7(4)5/h1-2,12H,3H2,(H2,10,11,13)
InChIKeyDDNWGTHRFWQAJM-UHFFFAOYSA-N
XLogP1.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one (CID 137382819) is 8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one is O=C1NCc2c(O)ccc(F)c2N1.
What is the InChIKey of 8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is DDNWGTHRFWQAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c9-5-1-2-6(12)4-3-10-8(13)11-7(4)5/h1-2,12H,3H2,(H2,10,11,13).
What are the key properties of 8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one?
8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 182.15 g/mol, XLogP of 1.17, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 137382819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).