[5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate

C20H19ClN4O4S — CID 24865064

IUPAC[5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate
SMILESCC1c2cn[nH]c2-c2ccc(OC(=O)N(C)C)cc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O4S/c1-12-17-11-22-23-19(17)16-9-6-14(29-20(26)24(2)3)10-18(16)25(12)30(27,28)15-7-4-13(21)5-8-15/h4-12H,1-3H3,(H,22,23)
InChIKeyHTTOXZJKANWEOE-UHFFFAOYSA-N
MW446.92 g/mol
LogP4.06
Rot. Bonds3

About [5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate

[5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate (PubChem CID 24865064) has the molecular formula C20H19ClN4O4S and a molecular weight of 446.92 g/mol. Its IUPAC name is [5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate
PubChem CID24865064
Molecular FormulaC20H19ClN4O4S
Molecular Weight446.92 g/mol
Exact Mass446.08
IUPAC Name[5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate
SMILESCC1c2cn[nH]c2-c2ccc(OC(=O)N(C)C)cc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O4S/c1-12-17-11-22-23-19(17)16-9-6-14(29-20(26)24(2)3)10-18(16)25(12)30(27,28)15-7-4-13(21)5-8-15/h4-12H,1-3H3,(H,22,23)
InChIKeyHTTOXZJKANWEOE-UHFFFAOYSA-N
XLogP4.06
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.92
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate?
The IUPAC name of [5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate (CID 24865064) is [5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate?
The canonical SMILES for [5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate is CC1c2cn[nH]c2-c2ccc(OC(=O)N(C)C)cc2N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate?
The InChIKey is HTTOXZJKANWEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4S/c1-12-17-11-22-23-19(17)16-9-6-14(29-20(26)24(2)3)10-18(16)25(12)30(27,28)15-7-4-13(21)5-8-15/h4-12H,1-3H3,(H,22,23).
What are the key properties of [5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate?
[5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate has a molecular weight of 446.92 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 24865064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).