7-bromo-2-fluoro-3H-quinazolin-4-one

C8H4BrFN2O — CID 176946694

IUPAC7-bromo-2-fluoro-3H-quinazolin-4-one
SMILESO=c1[nH]c(F)nc2cc(Br)ccc12
InChIInChI=1S/C8H4BrFN2O/c9-4-1-2-5-6(3-4)11-8(10)12-7(5)13/h1-3H,(H,11,12,13)
InChIKeyCVCOHPONZDXBRZ-UHFFFAOYSA-N
MW243.03 g/mol
LogP1.82
Rot. Bonds

About 7-bromo-2-fluoro-3H-quinazolin-4-one

7-bromo-2-fluoro-3H-quinazolin-4-one (PubChem CID 176946694) has the molecular formula C8H4BrFN2O and a molecular weight of 243.03 g/mol. Its IUPAC name is 7-bromo-2-fluoro-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-2-fluoro-3H-quinazolin-4-one
PubChem CID176946694
Molecular FormulaC8H4BrFN2O
Molecular Weight243.03 g/mol
Exact Mass241.95
IUPAC Name7-bromo-2-fluoro-3H-quinazolin-4-one
SMILESO=c1[nH]c(F)nc2cc(Br)ccc12
InChIInChI=1S/C8H4BrFN2O/c9-4-1-2-5-6(3-4)11-8(10)12-7(5)13/h1-3H,(H,11,12,13)
InChIKeyCVCOHPONZDXBRZ-UHFFFAOYSA-N
XLogP1.82
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-fluoro-3H-quinazolin-4-one?
The IUPAC name of 7-bromo-2-fluoro-3H-quinazolin-4-one (CID 176946694) is 7-bromo-2-fluoro-3H-quinazolin-4-one.
What is the SMILES notation for 7-bromo-2-fluoro-3H-quinazolin-4-one?
The canonical SMILES for 7-bromo-2-fluoro-3H-quinazolin-4-one is O=c1[nH]c(F)nc2cc(Br)ccc12.
What is the InChIKey of 7-bromo-2-fluoro-3H-quinazolin-4-one?
The InChIKey is CVCOHPONZDXBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2O/c9-4-1-2-5-6(3-4)11-8(10)12-7(5)13/h1-3H,(H,11,12,13).
What are the key properties of 7-bromo-2-fluoro-3H-quinazolin-4-one?
7-bromo-2-fluoro-3H-quinazolin-4-one has a molecular weight of 243.03 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-fluoro-3H-quinazolin-4-one is sourced from PubChem (CID 176946694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).