7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one

C8H2BrClF2N2O — CID 178188871

IUPAC7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one
SMILESO=C1N=CN=C2C1=C(F)C(Cl)=C(Br)C2F
InChIInChI=1S/C8H2BrClF2N2O/c9-3-4(10)5(11)2-7(6(3)12)13-1-14-8(2)15/h1,6H
InChIKeyCCSMNZCTUVATON-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.42
Rot. Bonds

About 7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one

7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one (PubChem CID 178188871) has the molecular formula C8H2BrClF2N2O and a molecular weight of 295.47 g/mol. Its IUPAC name is 7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one
PubChem CID178188871
Molecular FormulaC8H2BrClF2N2O
Molecular Weight295.47 g/mol
Exact Mass293.90
IUPAC Name7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one
SMILESO=C1N=CN=C2C1=C(F)C(Cl)=C(Br)C2F
InChIInChI=1S/C8H2BrClF2N2O/c9-3-4(10)5(11)2-7(6(3)12)13-1-14-8(2)15/h1,6H
InChIKeyCCSMNZCTUVATON-UHFFFAOYSA-N
XLogP2.42
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-6-fluoro-8H-quinazolin-4-one
CID 77250427
5-bromo-8-fluoro-8H-quinazolin-4-one
CID 138059215

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one?
The IUPAC name of 7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one (CID 178188871) is 7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one.
What is the SMILES notation for 7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one?
The canonical SMILES for 7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one is O=C1N=CN=C2C1=C(F)C(Cl)=C(Br)C2F.
What is the InChIKey of 7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one?
The InChIKey is CCSMNZCTUVATON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrClF2N2O/c9-3-4(10)5(11)2-7(6(3)12)13-1-14-8(2)15/h1,6H.
What are the key properties of 7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one?
7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one has a molecular weight of 295.47 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one is sourced from PubChem (CID 178188871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).