5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline

C18H14ClFN4O2S — CID 24865786

IUPAC5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(Cl)cn1)N1c2ccc(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C18H14ClFN4O2S/c19-11-3-6-16(21-8-11)27(25,26)24-15-5-4-12(20)7-13(15)17-14(9-22-23-17)18(24)10-1-2-10/h3-10,18H,1-2H2,(H,22,23)
InChIKeyVQXVSGJBJIFAFR-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.92
Rot. Bonds3

About 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline

5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24865786) has the molecular formula C18H14ClFN4O2S and a molecular weight of 404.85 g/mol. Its IUPAC name is 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24865786
Molecular FormulaC18H14ClFN4O2S
Molecular Weight404.85 g/mol
Exact Mass404.05
IUPAC Name5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(Cl)cn1)N1c2ccc(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C18H14ClFN4O2S/c19-11-3-6-16(21-8-11)27(25,26)24-15-5-4-12(20)7-13(15)17-14(9-22-23-17)18(24)10-1-2-10/h3-10,18H,1-2H2,(H,22,23)
InChIKeyVQXVSGJBJIFAFR-UHFFFAOYSA-N
XLogP3.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline with MolForge

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Related Compounds

Elnd-007
CID 46912223
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
5-Chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole
CID 24866173
(4R)-5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485492
(4R)-4-Cyclopropyl-8-fluoro-4,5-dihydro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1H-pyrazolo[4,3-c]quinoline
CID 45101437
7-Chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485496
5-(4-Chlorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 23627219
5-(4-Chlorophenylsulfonyl)-8-fluoro-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline
CID 24864172
5-(4-Chlorophenyl)sulfonyl-7-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864173
5-(4-Chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864336

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24865786) is 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(Cl)cn1)N1c2ccc(F)cc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is VQXVSGJBJIFAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2S/c19-11-3-6-16(21-8-11)27(25,26)24-15-5-4-12(20)7-13(15)17-14(9-22-23-17)18(24)10-1-2-10/h3-10,18H,1-2H2,(H,22,23).
What are the key properties of 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 404.85 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24865786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).