2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline

C18H20N4O2 — CID 97143559

IUPAC2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline
SMILESCc1ccc2cccc(OCCn3cc([C@H]4CCOC4)nn3)c2n1
InChIInChI=1S/C18H20N4O2/c1-13-5-6-14-3-2-4-17(18(14)19-13)24-10-8-22-11-16(20-21-22)15-7-9-23-12-15/h2-6,11,15H,7-10,12H2,1H3/t15-/m0/s1
InChIKeyGGJJSCBDEQFKCB-HNNXBMFYSA-N
MW324.38 g/mol
LogP2.72
Rot. Bonds5

About 2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline

2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline (PubChem CID 97143559) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline.

Molecular Properties

Compound Name2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline
PubChem CID97143559
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline
SMILESCc1ccc2cccc(OCCn3cc([C@H]4CCOC4)nn3)c2n1
InChIInChI=1S/C18H20N4O2/c1-13-5-6-14-3-2-4-17(18(14)19-13)24-10-8-22-11-16(20-21-22)15-7-9-23-12-15/h2-6,11,15H,7-10,12H2,1H3/t15-/m0/s1
InChIKeyGGJJSCBDEQFKCB-HNNXBMFYSA-N
XLogP2.72
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline?
The IUPAC name of 2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline (CID 97143559) is 2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline.
What is the SMILES notation for 2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline?
The canonical SMILES for 2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline is Cc1ccc2cccc(OCCn3cc([C@H]4CCOC4)nn3)c2n1.
What is the InChIKey of 2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline?
The InChIKey is GGJJSCBDEQFKCB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-5-6-14-3-2-4-17(18(14)19-13)24-10-8-22-11-16(20-21-22)15-7-9-23-12-15/h2-6,11,15H,7-10,12H2,1H3/t15-/m0/s1.
What are the key properties of 2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline?
2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline has a molecular weight of 324.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline is sourced from PubChem (CID 97143559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).