8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline

C24H19N3O — CID 20852567

IUPAC8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccccc4)c3c2c1
InChIInChI=1S/C24H19N3O/c1-16-8-10-17(11-9-16)23-21-15-25-22-13-12-19(28-2)14-20(22)24(21)27(26-23)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyMABLQFGOKJYGEQ-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.56
Rot. Bonds3

About 8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline

8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline (PubChem CID 20852567) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline
PubChem CID20852567
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccccc4)c3c2c1
InChIInChI=1S/C24H19N3O/c1-16-8-10-17(11-9-16)23-21-15-25-22-13-12-19(28-2)14-20(22)24(21)27(26-23)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyMABLQFGOKJYGEQ-UHFFFAOYSA-N
XLogP5.56
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline (CID 20852567) is 8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline is COc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccccc4)c3c2c1.
What is the InChIKey of 8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is MABLQFGOKJYGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-16-8-10-17(11-9-16)23-21-15-25-22-13-12-19(28-2)14-20(22)24(21)27(26-23)18-6-4-3-5-7-18/h3-15H,1-2H3.
What are the key properties of 8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline?
8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 365.44 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).