6-bromo-4-chloro-3H-quinazolin-2-one

C8H4BrClN2O — CID 84806231

IUPAC6-bromo-4-chloro-3H-quinazolin-2-one
SMILESO=c1nc2ccc(Br)cc2c(Cl)[nH]1
InChIInChI=1S/C8H4BrClN2O/c9-4-1-2-6-5(3-4)7(10)12-8(13)11-6/h1-3H,(H,11,12,13)
InChIKeyXOGIZZVBBRCVFG-UHFFFAOYSA-N
MW259.49 g/mol
LogP2.34
Rot. Bonds

About 6-bromo-4-chloro-3H-quinazolin-2-one

6-bromo-4-chloro-3H-quinazolin-2-one (PubChem CID 84806231) has the molecular formula C8H4BrClN2O and a molecular weight of 259.49 g/mol. Its IUPAC name is 6-bromo-4-chloro-3H-quinazolin-2-one.

Molecular Properties

Compound Name6-bromo-4-chloro-3H-quinazolin-2-one
PubChem CID84806231
Molecular FormulaC8H4BrClN2O
Molecular Weight259.49 g/mol
Exact Mass257.92
IUPAC Name6-bromo-4-chloro-3H-quinazolin-2-one
SMILESO=c1nc2ccc(Br)cc2c(Cl)[nH]1
InChIInChI=1S/C8H4BrClN2O/c9-4-1-2-6-5(3-4)7(10)12-8(13)11-6/h1-3H,(H,11,12,13)
InChIKeyXOGIZZVBBRCVFG-UHFFFAOYSA-N
XLogP2.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-3H-quinazolin-2-one?
The IUPAC name of 6-bromo-4-chloro-3H-quinazolin-2-one (CID 84806231) is 6-bromo-4-chloro-3H-quinazolin-2-one.
What is the SMILES notation for 6-bromo-4-chloro-3H-quinazolin-2-one?
The canonical SMILES for 6-bromo-4-chloro-3H-quinazolin-2-one is O=c1nc2ccc(Br)cc2c(Cl)[nH]1.
What is the InChIKey of 6-bromo-4-chloro-3H-quinazolin-2-one?
The InChIKey is XOGIZZVBBRCVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O/c9-4-1-2-6-5(3-4)7(10)12-8(13)11-6/h1-3H,(H,11,12,13).
What are the key properties of 6-bromo-4-chloro-3H-quinazolin-2-one?
6-bromo-4-chloro-3H-quinazolin-2-one has a molecular weight of 259.49 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-3H-quinazolin-2-one is sourced from PubChem (CID 84806231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).