8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline

C25H21N3O2 — CID 15990640

IUPAC8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline
SMILESCCOc1ccc2ncc3c(-c4cccc(OC)c4)nn(-c4ccccc4)c3c2c1
InChIInChI=1S/C25H21N3O2/c1-3-30-20-12-13-23-21(15-20)25-22(16-26-23)24(17-8-7-11-19(14-17)29-2)27-28(25)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3
InChIKeyJACUBYBYPRNAGD-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.65
Rot. Bonds5

About 8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline

8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline (PubChem CID 15990640) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline
PubChem CID15990640
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline
SMILESCCOc1ccc2ncc3c(-c4cccc(OC)c4)nn(-c4ccccc4)c3c2c1
InChIInChI=1S/C25H21N3O2/c1-3-30-20-12-13-23-21(15-20)25-22(16-26-23)24(17-8-7-11-19(14-17)29-2)27-28(25)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3
InChIKeyJACUBYBYPRNAGD-UHFFFAOYSA-N
XLogP5.65
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline (CID 15990640) is 8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline is CCOc1ccc2ncc3c(-c4cccc(OC)c4)nn(-c4ccccc4)c3c2c1.
What is the InChIKey of 8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is JACUBYBYPRNAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-3-30-20-12-13-23-21(15-20)25-22(16-26-23)24(17-8-7-11-19(14-17)29-2)27-28(25)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3.
What are the key properties of 8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline?
8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 395.46 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-3-(3-methoxyphenyl)-1-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 15990640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).