4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

C20H15F4N3O3S — CID 45485456

IUPAC4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1c2ccc(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C20H15F4N3O3S/c21-12-3-8-17-15(9-12)18-16(10-25-26-18)19(11-1-2-11)27(17)31(28,29)14-6-4-13(5-7-14)30-20(22,23)24/h3-11,19H,1-2H2,(H,25,26)
InChIKeyYXESTJAWJQYHFN-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.77
Rot. Bonds4

About 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 45485456) has the molecular formula C20H15F4N3O3S and a molecular weight of 453.42 g/mol. Its IUPAC name is 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID45485456
Molecular FormulaC20H15F4N3O3S
Molecular Weight453.42 g/mol
Exact Mass453.08
IUPAC Name4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1c2ccc(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C20H15F4N3O3S/c21-12-3-8-17-15(9-12)18-16(10-25-26-18)19(11-1-2-11)27(17)31(28,29)14-6-4-13(5-7-14)30-20(22,23)24/h3-11,19H,1-2H2,(H,25,26)
InChIKeyYXESTJAWJQYHFN-UHFFFAOYSA-N
XLogP4.77
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 45485456) is 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1c2ccc(F)cc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is YXESTJAWJQYHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O3S/c21-12-3-8-17-15(9-12)18-16(10-25-26-18)19(11-1-2-11)27(17)31(28,29)14-6-4-13(5-7-14)30-20(22,23)24/h3-11,19H,1-2H2,(H,25,26).
What are the key properties of 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 453.42 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-8-fluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 45485456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).