2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline

C17H18N4O3S — CID 122250674

IUPAC2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C17H18N4O3S/c1-11-17(12(2)20-19-11)25(22,23)21-9-14(10-21)24-16-8-7-13-5-3-4-6-15(13)18-16/h3-8,14H,9-10H2,1-2H3,(H,19,20)
InChIKeyAEOWKBNWBUDGGK-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.03
Rot. Bonds4

About 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline

2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline (PubChem CID 122250674) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline
PubChem CID122250674
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C17H18N4O3S/c1-11-17(12(2)20-19-11)25(22,23)21-9-14(10-21)24-16-8-7-13-5-3-4-6-15(13)18-16/h3-8,14H,9-10H2,1-2H3,(H,19,20)
InChIKeyAEOWKBNWBUDGGK-UHFFFAOYSA-N
XLogP2.03
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline?
The IUPAC name of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline (CID 122250674) is 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline is Cc1n[nH]c(C)c1S(=O)(=O)N1CC(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline?
The InChIKey is AEOWKBNWBUDGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-11-17(12(2)20-19-11)25(22,23)21-9-14(10-21)24-16-8-7-13-5-3-4-6-15(13)18-16/h3-8,14H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline?
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline has a molecular weight of 358.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline is sourced from PubChem (CID 122250674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).