4-chloro-6-fluoro-3H-quinazolin-2-one

C8H4ClFN2O — CID 84775015

IUPAC4-chloro-6-fluoro-3H-quinazolin-2-one
SMILESO=c1nc2ccc(F)cc2c(Cl)[nH]1
InChIInChI=1S/C8H4ClFN2O/c9-7-5-3-4(10)1-2-6(5)11-8(13)12-7/h1-3H,(H,11,12,13)
InChIKeyQCYBOZRJYHDTSP-UHFFFAOYSA-N
MW198.58 g/mol
LogP1.72
Rot. Bonds

About 4-chloro-6-fluoro-3H-quinazolin-2-one

4-chloro-6-fluoro-3H-quinazolin-2-one (PubChem CID 84775015) has the molecular formula C8H4ClFN2O and a molecular weight of 198.58 g/mol. Its IUPAC name is 4-chloro-6-fluoro-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-chloro-6-fluoro-3H-quinazolin-2-one
PubChem CID84775015
Molecular FormulaC8H4ClFN2O
Molecular Weight198.58 g/mol
Exact Mass198.00
IUPAC Name4-chloro-6-fluoro-3H-quinazolin-2-one
SMILESO=c1nc2ccc(F)cc2c(Cl)[nH]1
InChIInChI=1S/C8H4ClFN2O/c9-7-5-3-4(10)1-2-6(5)11-8(13)12-7/h1-3H,(H,11,12,13)
InChIKeyQCYBOZRJYHDTSP-UHFFFAOYSA-N
XLogP1.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-3H-quinazolin-2-one?
The IUPAC name of 4-chloro-6-fluoro-3H-quinazolin-2-one (CID 84775015) is 4-chloro-6-fluoro-3H-quinazolin-2-one.
What is the SMILES notation for 4-chloro-6-fluoro-3H-quinazolin-2-one?
The canonical SMILES for 4-chloro-6-fluoro-3H-quinazolin-2-one is O=c1nc2ccc(F)cc2c(Cl)[nH]1.
What is the InChIKey of 4-chloro-6-fluoro-3H-quinazolin-2-one?
The InChIKey is QCYBOZRJYHDTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O/c9-7-5-3-4(10)1-2-6(5)11-8(13)12-7/h1-3H,(H,11,12,13).
What are the key properties of 4-chloro-6-fluoro-3H-quinazolin-2-one?
4-chloro-6-fluoro-3H-quinazolin-2-one has a molecular weight of 198.58 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-3H-quinazolin-2-one is sourced from PubChem (CID 84775015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).