3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline

C26H23N3O2 — CID 15990631

IUPAC3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline
SMILESCCc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2cnc2ccc(OC)cc23)cc1
InChIInChI=1S/C26H23N3O2/c1-4-17-5-7-18(8-6-17)25-23-16-27-24-14-13-21(31-3)15-22(24)26(23)29(28-25)19-9-11-20(30-2)12-10-19/h5-16H,4H2,1-3H3
InChIKeyWQLSWDJHRPMICP-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.82
Rot. Bonds5

About 3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline

3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline (PubChem CID 15990631) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline
PubChem CID15990631
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline
SMILESCCc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2cnc2ccc(OC)cc23)cc1
InChIInChI=1S/C26H23N3O2/c1-4-17-5-7-18(8-6-17)25-23-16-27-24-14-13-21(31-3)15-22(24)26(23)29(28-25)19-9-11-20(30-2)12-10-19/h5-16H,4H2,1-3H3
InChIKeyWQLSWDJHRPMICP-UHFFFAOYSA-N
XLogP5.82
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline (CID 15990631) is 3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline is CCc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2cnc2ccc(OC)cc23)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is WQLSWDJHRPMICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-4-17-5-7-18(8-6-17)25-23-16-27-24-14-13-21(31-3)15-22(24)26(23)29(28-25)19-9-11-20(30-2)12-10-19/h5-16H,4H2,1-3H3.
What are the key properties of 3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline?
3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 409.49 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 15990631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).