(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate

C20H17N3O3 — CID 44610761

IUPAC(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate
SMILESCc1ccc2cc3c(OC(=O)COc4ccccc4)nn(C)c3nc2c1
InChIInChI=1S/C20H17N3O3/c1-13-8-9-14-11-16-19(21-17(14)10-13)23(2)22-20(16)26-18(24)12-25-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyPMSZFNMDLPXPCA-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.41
Rot. Bonds4

About (1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate

(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate (PubChem CID 44610761) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is (1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate.

Molecular Properties

Compound Name(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate
PubChem CID44610761
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate
SMILESCc1ccc2cc3c(OC(=O)COc4ccccc4)nn(C)c3nc2c1
InChIInChI=1S/C20H17N3O3/c1-13-8-9-14-11-16-19(21-17(14)10-13)23(2)22-20(16)26-18(24)12-25-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyPMSZFNMDLPXPCA-UHFFFAOYSA-N
XLogP3.41
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate?
The IUPAC name of (1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate (CID 44610761) is (1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate.
What is the SMILES notation for (1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate?
The canonical SMILES for (1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate is Cc1ccc2cc3c(OC(=O)COc4ccccc4)nn(C)c3nc2c1.
What is the InChIKey of (1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate?
The InChIKey is PMSZFNMDLPXPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13-8-9-14-11-16-19(21-17(14)10-13)23(2)22-20(16)26-18(24)12-25-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3.
What are the key properties of (1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate?
(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate has a molecular weight of 347.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl) 2-phenoxyacetate is sourced from PubChem (CID 44610761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).