4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile

C20H16N4O2S — CID 24864526

IUPAC4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2c3ccccc3-c3[nH]ncc3C2C2CC2)cc1
InChIInChI=1S/C20H16N4O2S/c21-11-13-5-9-15(10-6-13)27(25,26)24-18-4-2-1-3-16(18)19-17(12-22-23-19)20(24)14-7-8-14/h1-6,9-10,12,14,20H,7-8H2,(H,22,23)
InChIKeyMCOGETVHCTZXCD-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.61
Rot. Bonds3

About 4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile

4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile (PubChem CID 24864526) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile
PubChem CID24864526
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2c3ccccc3-c3[nH]ncc3C2C2CC2)cc1
InChIInChI=1S/C20H16N4O2S/c21-11-13-5-9-15(10-6-13)27(25,26)24-18-4-2-1-3-16(18)19-17(12-22-23-19)20(24)14-7-8-14/h1-6,9-10,12,14,20H,7-8H2,(H,22,23)
InChIKeyMCOGETVHCTZXCD-UHFFFAOYSA-N
XLogP3.61
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile with MolForge

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Related Compounds

Elnd-006
CID 53308121
5-(4-Chlorophenylsulfonyl)-4-ethyl-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline
CID 24864705
5-(4-Chlorophenyl)sulfonyl-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864711
5-(4-Chlorophenyl)sulfonyl-4-(trifluoromethyl)-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24864885
5-(4-Chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864886
4-Cyclopropyl-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865253
4-Cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 45485450
(4R)-5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485492
(4R)-4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 71746584
8-(4-Ethylphenyl)-5-Methyl-2,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide
CID 71568837
4-[4-Cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]morpholine
CID 45485471
4-Cyclopropyl-7-iodo-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485495

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile?
The IUPAC name of 4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile (CID 24864526) is 4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile.
What is the SMILES notation for 4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile?
The canonical SMILES for 4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile is N#Cc1ccc(S(=O)(=O)N2c3ccccc3-c3[nH]ncc3C2C2CC2)cc1.
What is the InChIKey of 4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile?
The InChIKey is MCOGETVHCTZXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c21-11-13-5-9-15(10-6-13)27(25,26)24-18-4-2-1-3-16(18)19-17(12-22-23-19)20(24)14-7-8-14/h1-6,9-10,12,14,20H,7-8H2,(H,22,23).
What are the key properties of 4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile?
4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile has a molecular weight of 376.44 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile is sourced from PubChem (CID 24864526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).