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

C18H16ClN3O3S — CID 24864337

IUPAC5-(4-chlorophenyl)sulfonyl-7-methoxy-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)C(C)c1cn[nH]c1-2
InChIInChI=1S/C18H16ClN3O3S/c1-11-16-10-20-21-18(16)15-8-5-13(25-2)9-17(15)22(11)26(23,24)14-6-3-12(19)4-7-14/h3-11H,1-2H3,(H,20,21)
InChIKeyLBVVYWGDDDAFQK-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.01
Rot. Bonds3

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

5-(4-chlorophenyl)sulfonyl-7-methoxy-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24864337) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-7-methoxy-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-7-methoxy-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24864337
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name5-(4-chlorophenyl)sulfonyl-7-methoxy-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)C(C)c1cn[nH]c1-2
InChIInChI=1S/C18H16ClN3O3S/c1-11-16-10-20-21-18(16)15-8-5-13(25-2)9-17(15)22(11)26(23,24)14-6-3-12(19)4-7-14/h3-11H,1-2H3,(H,20,21)
InChIKeyLBVVYWGDDDAFQK-UHFFFAOYSA-N
XLogP4.01
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate
CID 24865064
4-Cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24866342
5-(4-Chlorophenylsulfonyl)-4-methyl-4,5-dihydro-1H-pyrazolo[4,3-c]quinolin-7-ol
CID 135899156
5-(4-Chlorophenyl)sulfonyl-4-methyl-7-phenylmethoxy-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485490
4-Cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485446
4-chloro-N'-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylene}benzenesulfonohydrazide
CID 135490260
2H-Pyrazolo(4,3-c)quinoline, 4,5-dihydro-7-methoxy-5-((4-methylphenyl)sulfonyl)-2-phenyl-
CID 13573251
2H-Pyrazolo(4,3-c)quinoline, 4,5-dihydro-8-methoxy-5-((4-methylphenyl)sulfonyl)-
CID 13573252
4-Cyclopropyl-7-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24865992
(4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24866347
4-Cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 67505540
(4R)-4-cyclopropyl-7-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 87425026

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-7-methoxy-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-7-methoxy-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24864337) is 5-(4-chlorophenyl)sulfonyl-7-methoxy-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-7-methoxy-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-7-methoxy-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline is COc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)C(C)c1cn[nH]c1-2.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-7-methoxy-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is LBVVYWGDDDAFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-11-16-10-20-21-18(16)15-8-5-13(25-2)9-17(15)22(11)26(23,24)14-6-3-12(19)4-7-14/h3-11H,1-2H3,(H,20,21).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-7-methoxy-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline?
5-(4-chlorophenyl)sulfonyl-7-methoxy-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 389.86 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-7-methoxy-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24864337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).