3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one

C14H16N4O2 — CID 4154231

IUPAC3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1nn(C)c(C)c1C1Nc2ccccc2C(=O)N1O
InChIInChI=1S/C14H16N4O2/c1-8-12(9(2)17(3)16-8)13-15-11-7-5-4-6-10(11)14(19)18(13)20/h4-7,13,15,20H,1-3H3
InChIKeyRGSNLKUSSKHXDK-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.99
Rot. Bonds1

About 3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one

3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 4154231) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
PubChem CID4154231
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1nn(C)c(C)c1C1Nc2ccccc2C(=O)N1O
InChIInChI=1S/C14H16N4O2/c1-8-12(9(2)17(3)16-8)13-15-11-7-5-4-6-10(11)14(19)18(13)20/h4-7,13,15,20H,1-3H3
InChIKeyRGSNLKUSSKHXDK-UHFFFAOYSA-N
XLogP1.99
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.99
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 3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one (CID 4154231) is 3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one is Cc1nn(C)c(C)c1C1Nc2ccccc2C(=O)N1O.
What is the InChIKey of 3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is RGSNLKUSSKHXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-12(9(2)17(3)16-8)13-15-11-7-5-4-6-10(11)14(19)18(13)20/h4-7,13,15,20H,1-3H3.
What are the key properties of 3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 272.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 4154231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).