7-bromo-5-hydroxy-3H-quinazolin-4-one

C8H5BrN2O2 — CID 139330727

IUPAC7-bromo-5-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(Br)cc(O)c12
InChIInChI=1S/C8H5BrN2O2/c9-4-1-5-7(6(12)2-4)8(13)11-3-10-5/h1-3,12H,(H,10,11,13)
InChIKeyJFIAQRVBIPUZQL-UHFFFAOYSA-N
MW241.04 g/mol
LogP1.39
Rot. Bonds

About 7-bromo-5-hydroxy-3H-quinazolin-4-one

7-bromo-5-hydroxy-3H-quinazolin-4-one (PubChem CID 139330727) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 7-bromo-5-hydroxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-5-hydroxy-3H-quinazolin-4-one
PubChem CID139330727
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name7-bromo-5-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(Br)cc(O)c12
InChIInChI=1S/C8H5BrN2O2/c9-4-1-5-7(6(12)2-4)8(13)11-3-10-5/h1-3,12H,(H,10,11,13)
InChIKeyJFIAQRVBIPUZQL-UHFFFAOYSA-N
XLogP1.39
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-hydroxy-3H-quinazolin-4-one?
The IUPAC name of 7-bromo-5-hydroxy-3H-quinazolin-4-one (CID 139330727) is 7-bromo-5-hydroxy-3H-quinazolin-4-one.
What is the SMILES notation for 7-bromo-5-hydroxy-3H-quinazolin-4-one?
The canonical SMILES for 7-bromo-5-hydroxy-3H-quinazolin-4-one is O=c1[nH]cnc2cc(Br)cc(O)c12.
What is the InChIKey of 7-bromo-5-hydroxy-3H-quinazolin-4-one?
The InChIKey is JFIAQRVBIPUZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-4-1-5-7(6(12)2-4)8(13)11-3-10-5/h1-3,12H,(H,10,11,13).
What are the key properties of 7-bromo-5-hydroxy-3H-quinazolin-4-one?
7-bromo-5-hydroxy-3H-quinazolin-4-one has a molecular weight of 241.04 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-hydroxy-3H-quinazolin-4-one is sourced from PubChem (CID 139330727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).