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

C8H4BrClN2O — CID 155434942

IUPAC5-bromo-6-chloro-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(Cl)c(Br)c12
InChIInChI=1S/C8H4BrClN2O/c9-7-4(10)1-2-5-6(7)8(13)12-3-11-5/h1-3H,(H,11,12,13)
InChIKeyWTTPPNYBWRZANE-UHFFFAOYSA-N
MW259.49 g/mol
LogP2.34
Rot. Bonds

About 5-bromo-6-chloro-3H-quinazolin-4-one

5-bromo-6-chloro-3H-quinazolin-4-one (PubChem CID 155434942) has the molecular formula C8H4BrClN2O and a molecular weight of 259.49 g/mol. Its IUPAC name is 5-bromo-6-chloro-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3H-quinazolin-4-one
PubChem CID155434942
Molecular FormulaC8H4BrClN2O
Molecular Weight259.49 g/mol
Exact Mass257.92
IUPAC Name5-bromo-6-chloro-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(Cl)c(Br)c12
InChIInChI=1S/C8H4BrClN2O/c9-7-4(10)1-2-5-6(7)8(13)12-3-11-5/h1-3H,(H,11,12,13)
InChIKeyWTTPPNYBWRZANE-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 5-bromo-6-chloro-3H-quinazolin-4-one?
The IUPAC name of 5-bromo-6-chloro-3H-quinazolin-4-one (CID 155434942) is 5-bromo-6-chloro-3H-quinazolin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3H-quinazolin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3H-quinazolin-4-one is O=c1[nH]cnc2ccc(Cl)c(Br)c12.
What is the InChIKey of 5-bromo-6-chloro-3H-quinazolin-4-one?
The InChIKey is WTTPPNYBWRZANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O/c9-7-4(10)1-2-5-6(7)8(13)12-3-11-5/h1-3H,(H,11,12,13).
What are the key properties of 5-bromo-6-chloro-3H-quinazolin-4-one?
5-bromo-6-chloro-3H-quinazolin-4-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 5-bromo-6-chloro-3H-quinazolin-4-one is sourced from PubChem (CID 155434942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).