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

C20H18FN3O3S — CID 67505540

IUPAC4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCOc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3[nH]ncc3C2C2CC2)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)
InChIKeyGTFKFRJAKBUELZ-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.88
Rot. Bonds4

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

4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 67505540) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID67505540
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCOc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3[nH]ncc3C2C2CC2)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)
InChIKeyGTFKFRJAKBUELZ-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 67505540) is 4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 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]ncc3C2C2CC2)cc1.
What is the InChIKey of 4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is GTFKFRJAKBUELZ-UHFFFAOYSA-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).
What are the key properties of 4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
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 4-cyclopropyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 67505540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).