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

C20H16F3N3O3S — CID 24866342

IUPAC4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(OC(F)F)cc1)N1c2ccc(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C20H16F3N3O3S/c21-12-3-8-17-15(9-12)18-16(10-24-25-18)19(11-1-2-11)26(17)30(27,28)14-6-4-13(5-7-14)29-20(22)23/h3-11,19-20H,1-2H2,(H,24,25)
InChIKeyPAYDYCBYWDPAKX-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.48
Rot. Bonds5

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

4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24866342) has the molecular formula C20H16F3N3O3S and a molecular weight of 435.43 g/mol. Its IUPAC name is 4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24866342
Molecular FormulaC20H16F3N3O3S
Molecular Weight435.43 g/mol
Exact Mass435.09
IUPAC Name4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(OC(F)F)cc1)N1c2ccc(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C20H16F3N3O3S/c21-12-3-8-17-15(9-12)18-16(10-24-25-18)19(11-1-2-11)26(17)30(27,28)14-6-4-13(5-7-14)29-20(22)23/h3-11,19-20H,1-2H2,(H,24,25)
InChIKeyPAYDYCBYWDPAKX-UHFFFAOYSA-N
XLogP4.48
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24866342) is 4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(OC(F)F)cc1)N1c2ccc(F)cc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is PAYDYCBYWDPAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3S/c21-12-3-8-17-15(9-12)18-16(10-24-25-18)19(11-1-2-11)26(17)30(27,28)14-6-4-13(5-7-14)29-20(22)23/h3-11,19-20H,1-2H2,(H,24,25).
What are the key properties of 4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 435.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24866342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).