2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one

C14H16N4O2 — CID 3239266

IUPAC2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
SMILESCCn1cc(C2Nc3ccccc3C(=O)N2O)c(C)n1
InChIInChI=1S/C14H16N4O2/c1-3-17-8-11(9(2)16-17)13-15-12-7-5-4-6-10(12)14(19)18(13)20/h4-8,13,15,20H,3H2,1-2H3
InChIKeyXDMRESDZJIMMOY-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.17
Rot. Bonds2

About 2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one

2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one (PubChem CID 3239266) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
PubChem CID3239266
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
SMILESCCn1cc(C2Nc3ccccc3C(=O)N2O)c(C)n1
InChIInChI=1S/C14H16N4O2/c1-3-17-8-11(9(2)16-17)13-15-12-7-5-4-6-10(12)14(19)18(13)20/h4-8,13,15,20H,3H2,1-2H3
InChIKeyXDMRESDZJIMMOY-UHFFFAOYSA-N
XLogP2.17
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one (CID 3239266) is 2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one is CCn1cc(C2Nc3ccccc3C(=O)N2O)c(C)n1.
What is the InChIKey of 2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
The InChIKey is XDMRESDZJIMMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-17-8-11(9(2)16-17)13-15-12-7-5-4-6-10(12)14(19)18(13)20/h4-8,13,15,20H,3H2,1-2H3.
What are the key properties of 2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one has a molecular weight of 272.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-methylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3239266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).