ethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate

C21H19N3O2 — CID 15945555

IUPACethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(C)cc3c21
InChIInChI=1S/C21H19N3O2/c1-3-26-19(25)13-24-21-16-11-14(2)9-10-18(16)22-12-17(21)20(23-24)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
InChIKeyXZBCIXDDGWTKOG-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.12
Rot. Bonds4

About ethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate

ethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate (PubChem CID 15945555) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate
PubChem CID15945555
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Nameethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(C)cc3c21
InChIInChI=1S/C21H19N3O2/c1-3-26-19(25)13-24-21-16-11-14(2)9-10-18(16)22-12-17(21)20(23-24)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
InChIKeyXZBCIXDDGWTKOG-UHFFFAOYSA-N
XLogP4.12
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
The IUPAC name of ethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate (CID 15945555) is ethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate is CCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(C)cc3c21.
What is the InChIKey of ethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
The InChIKey is XZBCIXDDGWTKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-3-26-19(25)13-24-21-16-11-14(2)9-10-18(16)22-12-17(21)20(23-24)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3.
What are the key properties of ethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
ethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate has a molecular weight of 345.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate is sourced from PubChem (CID 15945555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).