1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline

C25H20ClN3O — CID 20852791

IUPAC1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline
SMILESCCc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(OC)cc23)cc1
InChIInChI=1S/C25H20ClN3O/c1-3-16-4-6-17(7-5-16)24-22-15-27-23-13-12-20(30-2)14-21(23)25(22)29(28-24)19-10-8-18(26)9-11-19/h4-15H,3H2,1-2H3
InChIKeySWMJISIXRSJPJR-UHFFFAOYSA-N
MW413.91 g/mol
LogP6.47
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline

1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline (PubChem CID 20852791) has the molecular formula C25H20ClN3O and a molecular weight of 413.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline
PubChem CID20852791
Molecular FormulaC25H20ClN3O
Molecular Weight413.91 g/mol
Exact Mass413.13
IUPAC Name1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline
SMILESCCc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(OC)cc23)cc1
InChIInChI=1S/C25H20ClN3O/c1-3-16-4-6-17(7-5-16)24-22-15-27-23-13-12-20(30-2)14-21(23)25(22)29(28-24)19-10-8-18(26)9-11-19/h4-15H,3H2,1-2H3
InChIKeySWMJISIXRSJPJR-UHFFFAOYSA-N
XLogP6.47
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline (CID 20852791) is 1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline is CCc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(OC)cc23)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline?
The InChIKey is SWMJISIXRSJPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O/c1-3-16-4-6-17(7-5-16)24-22-15-27-23-13-12-20(30-2)14-21(23)25(22)29(28-24)19-10-8-18(26)9-11-19/h4-15H,3H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline?
1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline has a molecular weight of 413.91 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).