6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one

C12H9FN4O — CID 135782167

IUPAC6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one
SMILESCc1cnn(-c2nc3ccc(F)cc3c(=O)[nH]2)c1
InChIInChI=1S/C12H9FN4O/c1-7-5-14-17(6-7)12-15-10-3-2-8(13)4-9(10)11(18)16-12/h2-6H,1H3,(H,15,16,18)
InChIKeyCIUQOHMUEVQSDG-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.56
Rot. Bonds1

About 6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one

6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one (PubChem CID 135782167) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one
PubChem CID135782167
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one
SMILESCc1cnn(-c2nc3ccc(F)cc3c(=O)[nH]2)c1
InChIInChI=1S/C12H9FN4O/c1-7-5-14-17(6-7)12-15-10-3-2-8(13)4-9(10)11(18)16-12/h2-6H,1H3,(H,15,16,18)
InChIKeyCIUQOHMUEVQSDG-UHFFFAOYSA-N
XLogP1.56
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one?
The IUPAC name of 6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one (CID 135782167) is 6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one is Cc1cnn(-c2nc3ccc(F)cc3c(=O)[nH]2)c1.
What is the InChIKey of 6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one?
The InChIKey is CIUQOHMUEVQSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c1-7-5-14-17(6-7)12-15-10-3-2-8(13)4-9(10)11(18)16-12/h2-6H,1H3,(H,15,16,18).
What are the key properties of 6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one?
6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one has a molecular weight of 244.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-methylpyrazol-1-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135782167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).