ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate

C21H21N3O4S — CID 67505477

IUPACethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CN(S(=O)(=O)c1ccc(C)cc1)c1ccccc1-2
InChIInChI=1S/C21H21N3O4S/c1-4-28-21(25)19-17-13-24(29(26,27)15-11-9-14(2)10-12-15)18-8-6-5-7-16(18)20(17)23(3)22-19/h5-12H,4,13H2,1-3H3
InChIKeyCBRGNPUGTKYLCA-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.28
Rot. Bonds4

About ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate

ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate (PubChem CID 67505477) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate
PubChem CID67505477
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Nameethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CN(S(=O)(=O)c1ccc(C)cc1)c1ccccc1-2
InChIInChI=1S/C21H21N3O4S/c1-4-28-21(25)19-17-13-24(29(26,27)15-11-9-14(2)10-12-15)18-8-6-5-7-16(18)20(17)23(3)22-19/h5-12H,4,13H2,1-3H3
InChIKeyCBRGNPUGTKYLCA-UHFFFAOYSA-N
XLogP3.28
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid
CID 68974373
methyl 4-[5-(4-methylphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-3-yl]benzoate
CID 134852454
ethyl (2E)-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ylidene]acetate
CID 102098728
3-(difluoromethylidene)-1-(4-methylphenyl)sulfonyl-2H-indole
CID 101186330
ethyl (2E)-2-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]acetate
CID 11079549
5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline
CID 134852166
ethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 7938499
1-[12-(4-ethoxyphenyl)-7-(4-methylphenyl)-5-(4-methylphenyl)sulfonyl-6H-benzo[j]phenanthridin-10-yl]ethanone
CID 132607869
5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 12597587
(4Z)-4-(hydroxymethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-one
CID 44723400
ethyl (4S)-4-(2-methoxy-2-oxoethyl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyrrolo[3,2-c]quinoline-5-carboxylate
CID 139185272
ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate
CID 54491280

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate?
The IUPAC name of ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate (CID 67505477) is ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate is CCOC(=O)c1nn(C)c2c1CN(S(=O)(=O)c1ccc(C)cc1)c1ccccc1-2.
What is the InChIKey of ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate?
The InChIKey is CBRGNPUGTKYLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-4-28-21(25)19-17-13-24(29(26,27)15-11-9-14(2)10-12-15)18-8-6-5-7-16(18)20(17)23(3)22-19/h5-12H,4,13H2,1-3H3.
What are the key properties of ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate?
ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate has a molecular weight of 411.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate is sourced from PubChem (CID 67505477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).