2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one

C12H10N4O2 — CID 135782154

IUPAC2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one
SMILESCOc1cnn(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C12H10N4O2/c1-18-8-6-13-16(7-8)12-14-10-5-3-2-4-9(10)11(17)15-12/h2-7H,1H3,(H,14,15,17)
InChIKeyXWFGFPVAPSKOGQ-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.12
Rot. Bonds2

About 2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one

2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one (PubChem CID 135782154) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one
PubChem CID135782154
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one
SMILESCOc1cnn(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C12H10N4O2/c1-18-8-6-13-16(7-8)12-14-10-5-3-2-4-9(10)11(17)15-12/h2-7H,1H3,(H,14,15,17)
InChIKeyXWFGFPVAPSKOGQ-UHFFFAOYSA-N
XLogP1.12
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-tert-butyl-4-oxo-3H-quinazolin-2-yl)pyrazol-4-yl] hydrogen carbonate
CID 136950168
[1-[7-(3-methylphenyl)-4-oxo-3H-quinazolin-2-yl]pyrazol-4-yl] hydrogen carbonate
CID 136950228
[1-(4-oxo-8-phenoxy-3H-quinazolin-2-yl)pyrazol-4-yl] hydrogen carbonate
CID 136950318
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
1-[4-oxo-6-(3-phenylphenoxy)-3H-quinazolin-2-yl]pyrazole-4-carboxylic acid
CID 135895281
7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 136641811
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one
CID 137264350
[1-[6-(2,3-dichlorophenoxy)-4-oxo-3H-quinazolin-2-yl]pyrazol-4-yl] hydrogen carbonate
CID 136950174
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
2-(4-ethylpyrazol-1-yl)-6-fluoro-3H-quinazolin-4-one
CID 135782166
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one (CID 135782154) is 2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one is COc1cnn(-c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one?
The InChIKey is XWFGFPVAPSKOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-18-8-6-13-16(7-8)12-14-10-5-3-2-4-9(10)11(17)15-12/h2-7H,1H3,(H,14,15,17).
What are the key properties of 2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one?
2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one has a molecular weight of 242.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135782154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).