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

C20H18FN3O3S — CID 24866347

IUPAC(4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCOc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3[nH]ncc3[C@H]2C2CC2)cc1
InChIInChI=1S/C20H18FN3O3S/c1-27-14-5-7-15(8-6-14)28(25,26)24-18-9-4-13(21)10-16(18)19-17(11-22-23-19)20(24)12-2-3-12/h4-12,20H,2-3H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyGTFKFRJAKBUELZ-HXUWFJFHSA-N
MW399.45 g/mol
LogP3.88
Rot. Bonds4

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

(4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24866347) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is (4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name(4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24866347
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name(4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCOc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3[nH]ncc3[C@H]2C2CC2)cc1
InChIInChI=1S/C20H18FN3O3S/c1-27-14-5-7-15(8-6-14)28(25,26)24-18-9-4-13(21)10-16(18)19-17(11-22-23-19)20(24)12-2-3-12/h4-12,20H,2-3H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyGTFKFRJAKBUELZ-HXUWFJFHSA-N
XLogP3.88
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of (4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24866347) is (4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for (4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for (4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is COc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3[nH]ncc3[C@H]2C2CC2)cc1.
What is the InChIKey of (4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is GTFKFRJAKBUELZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-27-14-5-7-15(8-6-14)28(25,26)24-18-9-4-13(21)10-16(18)19-17(11-22-23-19)20(24)12-2-3-12/h4-12,20H,2-3H2,1H3,(H,22,23)/t20-/m1/s1.
What are the key properties of (4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
(4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 399.45 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24866347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).