5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline

C25H21N3O — CID 53245544

IUPAC5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1ccc2c3nnc(-c4ccc(C)cc4)c-3cn(Cc3ccccc3)c2c1
InChIInChI=1S/C25H21N3O/c1-17-8-10-19(11-9-17)24-22-16-28(15-18-6-4-3-5-7-18)23-14-20(29-2)12-13-21(23)25(22)27-26-24/h3-14,16H,15H2,1-2H3
InChIKeyUPHYJSHCOFKVRT-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.57
Rot. Bonds4

About 5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline

5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline (PubChem CID 53245544) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
PubChem CID53245544
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1ccc2c3nnc(-c4ccc(C)cc4)c-3cn(Cc3ccccc3)c2c1
InChIInChI=1S/C25H21N3O/c1-17-8-10-19(11-9-17)24-22-16-28(15-18-6-4-3-5-7-18)23-14-20(29-2)12-13-21(23)25(22)27-26-24/h3-14,16H,15H2,1-2H3
InChIKeyUPHYJSHCOFKVRT-UHFFFAOYSA-N
XLogP5.57
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline (CID 53245544) is 5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline is COc1ccc2c3nnc(-c4ccc(C)cc4)c-3cn(Cc3ccccc3)c2c1.
What is the InChIKey of 5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is UPHYJSHCOFKVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-17-8-10-19(11-9-17)24-22-16-28(15-18-6-4-3-5-7-18)23-14-20(29-2)12-13-21(23)25(22)27-26-24/h3-14,16H,15H2,1-2H3.
What are the key properties of 5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 379.46 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 53245544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).