4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole

C16H15FN4O3S — CID 24865988

IUPAC4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1c2ccc(F)cc2-c2[nH]ncc2C1C
InChIInChI=1S/C16H15FN4O3S/c1-8-16(10(3)24-20-8)25(22,23)21-9(2)13-7-18-19-15(13)12-6-11(17)4-5-14(12)21/h4-7,9H,1-3H3,(H,18,19)
InChIKeyHUOPZJOWSUEISE-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.09
Rot. Bonds2

About 4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole

4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 24865988) has the molecular formula C16H15FN4O3S and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
PubChem CID24865988
Molecular FormulaC16H15FN4O3S
Molecular Weight362.39 g/mol
Exact Mass362.08
IUPAC Name4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1c2ccc(F)cc2-c2[nH]ncc2C1C
InChIInChI=1S/C16H15FN4O3S/c1-8-16(10(3)24-20-8)25(22,23)21-9(2)13-7-18-19-15(13)12-6-11(17)4-5-14(12)21/h4-7,9H,1-3H3,(H,18,19)
InChIKeyHUOPZJOWSUEISE-UHFFFAOYSA-N
XLogP3.09
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole (CID 24865988) is 4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1c2ccc(F)cc2-c2[nH]ncc2C1C.
What is the InChIKey of 4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is HUOPZJOWSUEISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3S/c1-8-16(10(3)24-20-8)25(22,23)21-9(2)13-7-18-19-15(13)12-6-11(17)4-5-14(12)21/h4-7,9H,1-3H3,(H,18,19).
What are the key properties of 4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 362.39 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 24865988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).