2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide

C17H19N5O3 — CID 665533

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide
SMILESCc1cc(C)n(-c2nc3ccccc3c(=O)n2OCC(=O)N(C)C)n1
InChIInChI=1S/C17H19N5O3/c1-11-9-12(2)21(19-11)17-18-14-8-6-5-7-13(14)16(24)22(17)25-10-15(23)20(3)4/h5-9H,10H2,1-4H3
InChIKeyAZABOWBBXNPNDY-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.72
Rot. Bonds4

About 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide

2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide (PubChem CID 665533) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide
PubChem CID665533
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide
SMILESCc1cc(C)n(-c2nc3ccccc3c(=O)n2OCC(=O)N(C)C)n1
InChIInChI=1S/C17H19N5O3/c1-11-9-12(2)21(19-11)17-18-14-8-6-5-7-13(14)16(24)22(17)25-10-15(23)20(3)4/h5-9H,10H2,1-4H3
InChIKeyAZABOWBBXNPNDY-UHFFFAOYSA-N
XLogP0.72
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide (CID 665533) is 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide is Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCC(=O)N(C)C)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide?
The InChIKey is AZABOWBBXNPNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11-9-12(2)21(19-11)17-18-14-8-6-5-7-13(14)16(24)22(17)25-10-15(23)20(3)4/h5-9H,10H2,1-4H3.
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide has a molecular weight of 341.37 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 665533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).