4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline

C19H16F2N4O2S — CID 24865993

IUPAC4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline
SMILESNc1ccc(S(=O)(=O)N2c3cc(F)c(F)cc3-c3[nH]ncc3C2C2CC2)cc1
InChIInChI=1S/C19H16F2N4O2S/c20-15-7-13-17(8-16(15)21)25(28(26,27)12-5-3-11(22)4-6-12)19(10-1-2-10)14-9-23-24-18(13)14/h3-10,19H,1-2,22H2,(H,23,24)
InChIKeyIWSPIYBYHBQJGN-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.60
Rot. Bonds3

About 4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline

4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline (PubChem CID 24865993) has the molecular formula C19H16F2N4O2S and a molecular weight of 402.43 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline.

Molecular Properties

Compound Name4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline
PubChem CID24865993
Molecular FormulaC19H16F2N4O2S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC Name4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline
SMILESNc1ccc(S(=O)(=O)N2c3cc(F)c(F)cc3-c3[nH]ncc3C2C2CC2)cc1
InChIInChI=1S/C19H16F2N4O2S/c20-15-7-13-17(8-16(15)21)25(28(26,27)12-5-3-11(22)4-6-12)19(10-1-2-10)14-9-23-24-18(13)14/h3-10,19H,1-2,22H2,(H,23,24)
InChIKeyIWSPIYBYHBQJGN-UHFFFAOYSA-N
XLogP3.60
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Elnd-007
CID 46912223
Elnd-006
CID 53308121
4-[(4-Cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile
CID 24864526
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline?
The IUPAC name of 4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline (CID 24865993) is 4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline.
What is the SMILES notation for 4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline?
The canonical SMILES for 4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline is Nc1ccc(S(=O)(=O)N2c3cc(F)c(F)cc3-c3[nH]ncc3C2C2CC2)cc1.
What is the InChIKey of 4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline?
The InChIKey is IWSPIYBYHBQJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2S/c20-15-7-13-17(8-16(15)21)25(28(26,27)12-5-3-11(22)4-6-12)19(10-1-2-10)14-9-23-24-18(13)14/h3-10,19H,1-2,22H2,(H,23,24).
What are the key properties of 4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline?
4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline has a molecular weight of 402.43 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]aniline is sourced from PubChem (CID 24865993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).