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

C22H21N3O3 — CID 15990596

IUPACethyl 2-(8-ethoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(OCC)cc3c21
InChIInChI=1S/C22H21N3O3/c1-3-27-16-10-11-19-17(12-16)22-18(13-23-19)21(15-8-6-5-7-9-15)24-25(22)14-20(26)28-4-2/h5-13H,3-4,14H2,1-2H3
InChIKeyGDTYMVMTHXVERC-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.21
Rot. Bonds6

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

ethyl 2-(8-ethoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate (PubChem CID 15990596) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is ethyl 2-(8-ethoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(8-ethoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate
PubChem CID15990596
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Nameethyl 2-(8-ethoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(OCC)cc3c21
InChIInChI=1S/C22H21N3O3/c1-3-27-16-10-11-19-17(12-16)22-18(13-23-19)21(15-8-6-5-7-9-15)24-25(22)14-20(26)28-4-2/h5-13H,3-4,14H2,1-2H3
InChIKeyGDTYMVMTHXVERC-UHFFFAOYSA-N
XLogP4.21
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-ethoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
The IUPAC name of ethyl 2-(8-ethoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate (CID 15990596) is ethyl 2-(8-ethoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(8-ethoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(8-ethoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate is CCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(OCC)cc3c21.
What is the InChIKey of ethyl 2-(8-ethoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
The InChIKey is GDTYMVMTHXVERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-3-27-16-10-11-19-17(12-16)22-18(13-23-19)21(15-8-6-5-7-9-15)24-25(22)14-20(26)28-4-2/h5-13H,3-4,14H2,1-2H3.
What are the key properties of ethyl 2-(8-ethoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
ethyl 2-(8-ethoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate has a molecular weight of 375.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-ethoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate is sourced from PubChem (CID 15990596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).