3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole

C16H17N3O2 — CID 2002514

IUPAC3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole
SMILESCCOc1nc2c(C)cccc2cc1-c1noc(CC)n1
InChIInChI=1S/C16H17N3O2/c1-4-13-17-15(19-21-13)12-9-11-8-6-7-10(3)14(11)18-16(12)20-5-2/h6-9H,4-5H2,1-3H3
InChIKeyYHKBIBZQMOTCGI-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.55
Rot. Bonds4

About 3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole

3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole (PubChem CID 2002514) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole
PubChem CID2002514
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole
SMILESCCOc1nc2c(C)cccc2cc1-c1noc(CC)n1
InChIInChI=1S/C16H17N3O2/c1-4-13-17-15(19-21-13)12-9-11-8-6-7-10(3)14(11)18-16(12)20-5-2/h6-9H,4-5H2,1-3H3
InChIKeyYHKBIBZQMOTCGI-UHFFFAOYSA-N
XLogP3.55
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 3782941
3-(2-ethoxy-8-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 2016493
3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
CID 3813118
3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 2023299
N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754610
3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 3830668
8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754481
N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754567
3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3266698
5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4552356
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754513

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole (CID 2002514) is 3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole is CCOc1nc2c(C)cccc2cc1-c1noc(CC)n1.
What is the InChIKey of 3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole?
The InChIKey is YHKBIBZQMOTCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-13-17-15(19-21-13)12-9-11-8-6-7-10(3)14(11)18-16(12)20-5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole?
3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole has a molecular weight of 283.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 2002514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).