5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid

C18H15N3O4S — CID 68974373

IUPAC5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2Cc3c(n[nH]c3C(=O)O)-c3ccccc32)cc1
InChIInChI=1S/C18H15N3O4S/c1-11-6-8-12(9-7-11)26(24,25)21-10-14-16(19-20-17(14)18(22)23)13-4-2-3-5-15(13)21/h2-9H,10H2,1H3,(H,19,20)(H,22,23)
InChIKeyOEJQEVHJIAMLCG-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.79
Rot. Bonds3

About 5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid

5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid (PubChem CID 68974373) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid
PubChem CID68974373
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2Cc3c(n[nH]c3C(=O)O)-c3ccccc32)cc1
InChIInChI=1S/C18H15N3O4S/c1-11-6-8-12(9-7-11)26(24,25)21-10-14-16(19-20-17(14)18(22)23)13-4-2-3-5-15(13)21/h2-9H,10H2,1H3,(H,19,20)(H,22,23)
InChIKeyOEJQEVHJIAMLCG-UHFFFAOYSA-N
XLogP2.79
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline
CID 134852166
methyl 4-[5-(4-methylphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-3-yl]benzoate
CID 134852454
5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 12597587
3-(difluoromethylidene)-1-(4-methylphenyl)sulfonyl-2H-indole
CID 101186330
ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate
CID 67505477
(4Z)-4-(hydroxymethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-one
CID 44723400
1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-6,1-benzoxazonin-7-one
CID 102529621
7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine
CID 130249292
4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)sulfonyl]benzoic acid
CID 110713476
(2E)-2-[4,4-difluoro-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-ylidene]acetic acid
CID 18324689
1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline
CID 175302706
ethyl 5-(4-methylphenyl)sulfonyl-4-(4-sulfamoylphenyl)-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylate
CID 90743452

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid?
The IUPAC name of 5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid (CID 68974373) is 5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid.
What is the SMILES notation for 5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid?
The canonical SMILES for 5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid is Cc1ccc(S(=O)(=O)N2Cc3c(n[nH]c3C(=O)O)-c3ccccc32)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid?
The InChIKey is OEJQEVHJIAMLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-11-6-8-12(9-7-11)26(24,25)21-10-14-16(19-20-17(14)18(22)23)13-4-2-3-5-15(13)21/h2-9H,10H2,1H3,(H,19,20)(H,22,23).
What are the key properties of 5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid?
5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid has a molecular weight of 369.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid is sourced from PubChem (CID 68974373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).