6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one

C16H11BrFN3O2 — CID 167691977

IUPAC6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one
SMILESCC(=O)C(c1ccccn1)n1cnc2ccc(Br)c(F)c2c1=O
InChIInChI=1S/C16H11BrFN3O2/c1-9(22)15(12-4-2-3-7-19-12)21-8-20-11-6-5-10(17)14(18)13(11)16(21)23/h2-8,15H,1H3
InChIKeyXBWXHFJZGFSKQD-UHFFFAOYSA-N
MW376.19 g/mol
LogP2.87
Rot. Bonds3

About 6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one

6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one (PubChem CID 167691977) has the molecular formula C16H11BrFN3O2 and a molecular weight of 376.19 g/mol. Its IUPAC name is 6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one
PubChem CID167691977
Molecular FormulaC16H11BrFN3O2
Molecular Weight376.19 g/mol
Exact Mass375.00
IUPAC Name6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one
SMILESCC(=O)C(c1ccccn1)n1cnc2ccc(Br)c(F)c2c1=O
InChIInChI=1S/C16H11BrFN3O2/c1-9(22)15(12-4-2-3-7-19-12)21-8-20-11-6-5-10(17)14(18)13(11)16(21)23/h2-8,15H,1H3
InChIKeyXBWXHFJZGFSKQD-UHFFFAOYSA-N
XLogP2.87
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one?
The IUPAC name of 6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one (CID 167691977) is 6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one.
What is the SMILES notation for 6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one?
The canonical SMILES for 6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one is CC(=O)C(c1ccccn1)n1cnc2ccc(Br)c(F)c2c1=O.
What is the InChIKey of 6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one?
The InChIKey is XBWXHFJZGFSKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O2/c1-9(22)15(12-4-2-3-7-19-12)21-8-20-11-6-5-10(17)14(18)13(11)16(21)23/h2-8,15H,1H3.
What are the key properties of 6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one?
6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one has a molecular weight of 376.19 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-3-(2-oxo-1-pyridin-2-ylpropyl)quinazolin-4-one is sourced from PubChem (CID 167691977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).