7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one

C11H7FN4O — CID 105487560

IUPAC7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one
SMILESO=c1nc(-c2cn[nH]c2)c2ccc(F)cc2[nH]1
InChIInChI=1S/C11H7FN4O/c12-7-1-2-8-9(3-7)15-11(17)16-10(8)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16,17)
InChIKeyCVMROLXXPYSNEK-UHFFFAOYSA-N
MW230.20 g/mol
LogP1.45
Rot. Bonds1

About 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one

7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one (PubChem CID 105487560) has the molecular formula C11H7FN4O and a molecular weight of 230.20 g/mol. Its IUPAC name is 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one
PubChem CID105487560
Molecular FormulaC11H7FN4O
Molecular Weight230.20 g/mol
Exact Mass230.06
IUPAC Name7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one
SMILESO=c1nc(-c2cn[nH]c2)c2ccc(F)cc2[nH]1
InChIInChI=1S/C11H7FN4O/c12-7-1-2-8-9(3-7)15-11(17)16-10(8)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16,17)
InChIKeyCVMROLXXPYSNEK-UHFFFAOYSA-N
XLogP1.45
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one?
The IUPAC name of 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one (CID 105487560) is 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one.
What is the SMILES notation for 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one?
The canonical SMILES for 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one is O=c1nc(-c2cn[nH]c2)c2ccc(F)cc2[nH]1.
What is the InChIKey of 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one?
The InChIKey is CVMROLXXPYSNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O/c12-7-1-2-8-9(3-7)15-11(17)16-10(8)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16,17).
What are the key properties of 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one?
7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one has a molecular weight of 230.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one is sourced from PubChem (CID 105487560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).