ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate

C17H18N4O4 — CID 3797771

IUPACethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate
SMILESCCOC(=O)COn1c(-n2nc(C)cc2C)nc2ccccc2c1=O
InChIInChI=1S/C17H18N4O4/c1-4-24-15(22)10-25-21-16(23)13-7-5-6-8-14(13)18-17(21)20-12(3)9-11(2)19-20/h5-9H,4,10H2,1-3H3
InChIKeyGWIHITFHFPTGTD-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.19
Rot. Bonds5

About ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate

ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate (PubChem CID 3797771) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate
PubChem CID3797771
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Nameethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate
SMILESCCOC(=O)COn1c(-n2nc(C)cc2C)nc2ccccc2c1=O
InChIInChI=1S/C17H18N4O4/c1-4-24-15(22)10-25-21-16(23)13-7-5-6-8-14(13)18-17(21)20-12(3)9-11(2)19-20/h5-9H,4,10H2,1-3H3
InChIKeyGWIHITFHFPTGTD-UHFFFAOYSA-N
XLogP1.19
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate?
The IUPAC name of ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate (CID 3797771) is ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate?
The canonical SMILES for ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate is CCOC(=O)COn1c(-n2nc(C)cc2C)nc2ccccc2c1=O.
What is the InChIKey of ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate?
The InChIKey is GWIHITFHFPTGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-4-24-15(22)10-25-21-16(23)13-7-5-6-8-14(13)18-17(21)20-12(3)9-11(2)19-20/h5-9H,4,10H2,1-3H3.
What are the key properties of ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate?
ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate has a molecular weight of 342.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate is sourced from PubChem (CID 3797771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).