5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one

C8H4BrClN2O2 — CID 174974160

IUPAC5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]c(Cl)nc2c(O)ccc(Br)c12
InChIInChI=1S/C8H4BrClN2O2/c9-3-1-2-4(13)6-5(3)7(14)12-8(10)11-6/h1-2,13H,(H,11,12,14)
InChIKeyPIOQVLSKAKOPGO-UHFFFAOYSA-N
MW275.49 g/mol
LogP2.04
Rot. Bonds

About 5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one

5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one (PubChem CID 174974160) has the molecular formula C8H4BrClN2O2 and a molecular weight of 275.49 g/mol. Its IUPAC name is 5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one
PubChem CID174974160
Molecular FormulaC8H4BrClN2O2
Molecular Weight275.49 g/mol
Exact Mass273.91
IUPAC Name5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]c(Cl)nc2c(O)ccc(Br)c12
InChIInChI=1S/C8H4BrClN2O2/c9-3-1-2-4(13)6-5(3)7(14)12-8(10)11-6/h1-2,13H,(H,11,12,14)
InChIKeyPIOQVLSKAKOPGO-UHFFFAOYSA-N
XLogP2.04
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.49
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one?
The IUPAC name of 5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one (CID 174974160) is 5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one.
What is the SMILES notation for 5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one?
The canonical SMILES for 5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one is O=c1[nH]c(Cl)nc2c(O)ccc(Br)c12.
What is the InChIKey of 5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one?
The InChIKey is PIOQVLSKAKOPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O2/c9-3-1-2-4(13)6-5(3)7(14)12-8(10)11-6/h1-2,13H,(H,11,12,14).
What are the key properties of 5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one?
5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one has a molecular weight of 275.49 g/mol, XLogP of 2.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-8-hydroxy-3H-quinazolin-4-one is sourced from PubChem (CID 174974160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).