5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline

C24H20ClN3O3S — CID 45485490

IUPAC5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCC1c2cn[nH]c2-c2ccc(OCc3ccccc3)cc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O3S/c1-16-22-14-26-27-24(22)21-12-9-19(31-15-17-5-3-2-4-6-17)13-23(21)28(16)32(29,30)20-10-7-18(25)8-11-20/h2-14,16H,15H2,1H3,(H,26,27)
InChIKeyLHKNBHBTVDFUOR-UHFFFAOYSA-N
MW465.96 g/mol
LogP5.58
Rot. Bonds5

About 5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline

5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 45485490) has the molecular formula C24H20ClN3O3S and a molecular weight of 465.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID45485490
Molecular FormulaC24H20ClN3O3S
Molecular Weight465.96 g/mol
Exact Mass465.09
IUPAC Name5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCC1c2cn[nH]c2-c2ccc(OCc3ccccc3)cc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O3S/c1-16-22-14-26-27-24(22)21-12-9-19(31-15-17-5-3-2-4-6-17)13-23(21)28(16)32(29,30)20-10-7-18(25)8-11-20/h2-14,16H,15H2,1H3,(H,26,27)
InChIKeyLHKNBHBTVDFUOR-UHFFFAOYSA-N
XLogP5.58
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.96
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline (CID 45485490) is 5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline is CC1c2cn[nH]c2-c2ccc(OCc3ccccc3)cc2N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is LHKNBHBTVDFUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3S/c1-16-22-14-26-27-24(22)21-12-9-19(31-15-17-5-3-2-4-6-17)13-23(21)28(16)32(29,30)20-10-7-18(25)8-11-20/h2-14,16H,15H2,1H3,(H,26,27).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline?
5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 465.96 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 45485490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).