ethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate

C22H19N3O4 — CID 3981923

IUPACethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2ccc3ccccc3n2)c(-c2ccc(O)cc2O)n1
InChIInChI=1S/C22H19N3O4/c1-2-29-21(28)13-25-12-17(19-10-7-14-5-3-4-6-18(14)23-19)22(24-25)16-9-8-15(26)11-20(16)27/h3-12,26-27H,2,13H2,1H3
InChIKeyBJZHJINQCIHNTG-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.74
Rot. Bonds5

About ethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate

ethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate (PubChem CID 3981923) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is ethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate
PubChem CID3981923
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Nameethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2ccc3ccccc3n2)c(-c2ccc(O)cc2O)n1
InChIInChI=1S/C22H19N3O4/c1-2-29-21(28)13-25-12-17(19-10-7-14-5-3-4-6-18(14)23-19)22(24-25)16-9-8-15(26)11-20(16)27/h3-12,26-27H,2,13H2,1H3
InChIKeyBJZHJINQCIHNTG-UHFFFAOYSA-N
XLogP3.74
TPSA97.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]acetate
CID 167444594
4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol
CID 135573794
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
ethyl 3-hydroxy-3-quinolin-2-ylpropanoate
CID 59168927
ethyl 2-[4-(3-hydroxyphenyl)triazol-1-yl]acetate
CID 70847799
ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate
CID 80573402
ethyl 3,3,3-trifluoro-2-(5-fluoro-2-quinolin-2-ylphenyl)-2-hydroxypropanoate
CID 72712952
ethyl 2-(5-bromo-2-quinolin-2-ylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 72713148
ethyl 2-(tetrazol-1-yl)acetate
CID 14415264
ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate
CID 19355339
ethyl 4-(3-hydroxyquinolin-2-yl)-4-oxobutanoate
CID 167491857
ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate
CID 107346740

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate (CID 3981923) is ethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate is CCOC(=O)Cn1cc(-c2ccc3ccccc3n2)c(-c2ccc(O)cc2O)n1.
What is the InChIKey of ethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate?
The InChIKey is BJZHJINQCIHNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-2-29-21(28)13-25-12-17(19-10-7-14-5-3-4-6-18(14)23-19)22(24-25)16-9-8-15(26)11-20(16)27/h3-12,26-27H,2,13H2,1H3.
What are the key properties of ethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate?
ethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate has a molecular weight of 389.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2,4-dihydroxyphenyl)-4-quinolin-2-ylpyrazol-1-yl]acetate is sourced from PubChem (CID 3981923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).