5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one

C11H6ClFN4O — CID 151383385

IUPAC5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one
SMILESO=c1c2c(Cl)ccc(F)c2ncn1-c1ccn[nH]1
InChIInChI=1S/C11H6ClFN4O/c12-6-1-2-7(13)10-9(6)11(18)17(5-14-10)8-3-4-15-16-8/h1-5H,(H,15,16)
InChIKeyOSWWBLUDYXXSHL-UHFFFAOYSA-N
MW264.65 g/mol
LogP1.90
Rot. Bonds1

About 5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one

5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one (PubChem CID 151383385) has the molecular formula C11H6ClFN4O and a molecular weight of 264.65 g/mol. Its IUPAC name is 5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one
PubChem CID151383385
Molecular FormulaC11H6ClFN4O
Molecular Weight264.65 g/mol
Exact Mass264.02
IUPAC Name5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one
SMILESO=c1c2c(Cl)ccc(F)c2ncn1-c1ccn[nH]1
InChIInChI=1S/C11H6ClFN4O/c12-6-1-2-7(13)10-9(6)11(18)17(5-14-10)8-3-4-15-16-8/h1-5H,(H,15,16)
InChIKeyOSWWBLUDYXXSHL-UHFFFAOYSA-N
XLogP1.90
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.65
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one?
The IUPAC name of 5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one (CID 151383385) is 5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one.
What is the SMILES notation for 5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one?
The canonical SMILES for 5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one is O=c1c2c(Cl)ccc(F)c2ncn1-c1ccn[nH]1.
What is the InChIKey of 5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one?
The InChIKey is OSWWBLUDYXXSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4O/c12-6-1-2-7(13)10-9(6)11(18)17(5-14-10)8-3-4-15-16-8/h1-5H,(H,15,16).
What are the key properties of 5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one?
5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one has a molecular weight of 264.65 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one is sourced from PubChem (CID 151383385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).