6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one

C11H10BrFN2O2 — CID 166465134

IUPAC6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1cnc2ccc(Br)c(F)c2c1=O
InChIInChI=1S/C11H10BrFN2O2/c1-17-5-4-15-6-14-8-3-2-7(12)10(13)9(8)11(15)16/h2-3,6H,4-5H2,1H3
InChIKeySHSGHLHVJLTJGF-UHFFFAOYSA-N
MW301.12 g/mol
LogP1.94
Rot. Bonds3

About 6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one

6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one (PubChem CID 166465134) has the molecular formula C11H10BrFN2O2 and a molecular weight of 301.12 g/mol. Its IUPAC name is 6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one
PubChem CID166465134
Molecular FormulaC11H10BrFN2O2
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1cnc2ccc(Br)c(F)c2c1=O
InChIInChI=1S/C11H10BrFN2O2/c1-17-5-4-15-6-14-8-3-2-7(12)10(13)9(8)11(15)16/h2-3,6H,4-5H2,1H3
InChIKeySHSGHLHVJLTJGF-UHFFFAOYSA-N
XLogP1.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one?
The IUPAC name of 6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one (CID 166465134) is 6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one.
What is the SMILES notation for 6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one?
The canonical SMILES for 6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one is COCCn1cnc2ccc(Br)c(F)c2c1=O.
What is the InChIKey of 6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one?
The InChIKey is SHSGHLHVJLTJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2/c1-17-5-4-15-6-14-8-3-2-7(12)10(13)9(8)11(15)16/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one?
6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one has a molecular weight of 301.12 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one is sourced from PubChem (CID 166465134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).