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

C13H14N4O2 — CID 4103501

IUPAC2-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
SMILESCc1c(C2Nc3ccccc3C(=O)N2O)cnn1C
InChIInChI=1S/C13H14N4O2/c1-8-10(7-14-16(8)2)12-15-11-6-4-3-5-9(11)13(18)17(12)19/h3-7,12,15,19H,1-2H3
InChIKeyKMTNEQUFQXKRIF-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.68
Rot. Bonds1

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

2-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one (PubChem CID 4103501) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
PubChem CID4103501
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
SMILESCc1c(C2Nc3ccccc3C(=O)N2O)cnn1C
InChIInChI=1S/C13H14N4O2/c1-8-10(7-14-16(8)2)12-15-11-6-4-3-5-9(11)13(18)17(12)19/h3-7,12,15,19H,1-2H3
InChIKeyKMTNEQUFQXKRIF-UHFFFAOYSA-N
XLogP1.68
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.68
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-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one (CID 4103501) is 2-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one is Cc1c(C2Nc3ccccc3C(=O)N2O)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
The InChIKey is KMTNEQUFQXKRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-10(7-14-16(8)2)12-15-11-6-4-3-5-9(11)13(18)17(12)19/h3-7,12,15,19H,1-2H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
2-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one has a molecular weight of 258.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 4103501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).