8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline

C18H18N4O3S — CID 91627435

IUPAC8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline
SMILESCc1ccc(OC2CCN(S(=O)(=O)c3cccc4cccnc34)C2)nn1
InChIInChI=1S/C18H18N4O3S/c1-13-7-8-17(21-20-13)25-15-9-11-22(12-15)26(23,24)16-6-2-4-14-5-3-10-19-18(14)16/h2-8,10,15H,9,11-12H2,1H3
InChIKeyJBCCDJCRURDKCE-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.18
Rot. Bonds4

About 8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline

8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline (PubChem CID 91627435) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline
PubChem CID91627435
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline
SMILESCc1ccc(OC2CCN(S(=O)(=O)c3cccc4cccnc34)C2)nn1
InChIInChI=1S/C18H18N4O3S/c1-13-7-8-17(21-20-13)25-15-9-11-22(12-15)26(23,24)16-6-2-4-14-5-3-10-19-18(14)16/h2-8,10,15H,9,11-12H2,1H3
InChIKeyJBCCDJCRURDKCE-UHFFFAOYSA-N
XLogP2.18
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline (CID 91627435) is 8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline is Cc1ccc(OC2CCN(S(=O)(=O)c3cccc4cccnc34)C2)nn1.
What is the InChIKey of 8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline?
The InChIKey is JBCCDJCRURDKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-13-7-8-17(21-20-13)25-15-9-11-22(12-15)26(23,24)16-6-2-4-14-5-3-10-19-18(14)16/h2-8,10,15H,9,11-12H2,1H3.
What are the key properties of 8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline?
8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline has a molecular weight of 370.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline is sourced from PubChem (CID 91627435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).