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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Related Compounds

8-Ethoxyquinoline
CID 73781
4-{4-[6-(2-Methoxyethoxy)quinolin-2-Yl]-1h-1,2,3-Triazol-1-Yl}phenol
CID 90684377
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-quinoline
CID 44372369
4-[[1-(4-Chlorophenyl)triazol-4-yl]methoxy]quinoline
CID 44222802
3-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 90668361
8-Methoxy-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11517420
N-{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-2-ylmethyl}-isobutyramide
CID 44190581
4-[1-[1-(4-Chlorophenyl)triazol-4-yl]ethoxy]quinoline
CID 44220071
4-[4-[1-(4-Quinolyloxy)ethyl]triazol-1-yl]benzonitrile
CID 44222803
4-[4-[6-[2-(2-Morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol
CID 122219230
2-[4-(2-{[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy}-1,5-naphthyridin-3-yl)-1H-pyrazol-1-yl]ethanol
CID 71062719
6-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 90668364

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).