5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline

C26H23N3O2 — CID 2135826

IUPAC5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline
SMILESCCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccccc4)cc2-3)cc1
InChIInChI=1S/C26H23N3O2/c1-3-31-20-11-9-19(10-12-20)25-23-17-29(16-18-7-5-4-6-8-18)24-14-13-21(30-2)15-22(24)26(23)28-27-25/h4-15,17H,3,16H2,1-2H3
InChIKeyALJIQRWQWNOFRY-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.66
Rot. Bonds6

About 5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline

5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline (PubChem CID 2135826) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline
PubChem CID2135826
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline
SMILESCCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccccc4)cc2-3)cc1
InChIInChI=1S/C26H23N3O2/c1-3-31-20-11-9-19(10-12-20)25-23-17-29(16-18-7-5-4-6-8-18)24-14-13-21(30-2)15-22(24)26(23)28-27-25/h4-15,17H,3,16H2,1-2H3
InChIKeyALJIQRWQWNOFRY-UHFFFAOYSA-N
XLogP5.66
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline?
The IUPAC name of 5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline (CID 2135826) is 5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline.
What is the SMILES notation for 5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline?
The canonical SMILES for 5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline is CCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccccc4)cc2-3)cc1.
What is the InChIKey of 5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline?
The InChIKey is ALJIQRWQWNOFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-3-31-20-11-9-19(10-12-20)25-23-17-29(16-18-7-5-4-6-8-18)24-14-13-21(30-2)15-22(24)26(23)28-27-25/h4-15,17H,3,16H2,1-2H3.
What are the key properties of 5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline?
5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline has a molecular weight of 409.49 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2135826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).