3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline

C25H20ClN3O2 — CID 2135362

About 3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline

3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline (PubChem CID 2135362) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
• PubChem CID: 2135362
• Molecular Formula: C25H20ClN3O2
• Molecular Weight: 429.91 g/mol
• Exact Mass: 429.12
• IUPAC Name: 3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
• SMILES: COc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc(OC)ccc32)c1
• InChI: InChI=1S/C25H20ClN3O2/c1-30-19-5-3-4-16(12-19)14-29-15-22-24(17-6-8-18(26)9-7-17)27-28-25(22)21-13-20(31-2)10-11-23(21)29/h3-13,15H,14H2,1-2H3
• InChIKey: XBZSPWSCGSNDTN-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 49.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.91
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?

The IUPAC name of 3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline (CID 2135362) is 3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline.

What is the SMILES notation for 3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?

The canonical SMILES for 3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline is COc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc(OC)ccc32)c1.

What is the InChIKey of 3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?

The InChIKey is XBZSPWSCGSNDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c1-30-19-5-3-4-16(12-19)14-29-15-22-24(17-6-8-18(26)9-7-17)27-28-25(22)21-13-20(31-2)10-11-23(21)29/h3-13,15H,14H2,1-2H3.

What are the key properties of 3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?

3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline has a molecular weight of 429.91 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2135362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).