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

C18H21N3O2 — CID 3782941

IUPAC5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole
SMILESCCCCc1nc(-c2cc3cccc(C)c3nc2OCC)no1
InChIInChI=1S/C18H21N3O2/c1-4-6-10-15-19-17(21-23-15)14-11-13-9-7-8-12(3)16(13)20-18(14)22-5-2/h7-9,11H,4-6,10H2,1-3H3
InChIKeyKGKYFDAESDGWNV-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.33
Rot. Bonds6

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

5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole (PubChem CID 3782941) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole
PubChem CID3782941
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole
SMILESCCCCc1nc(-c2cc3cccc(C)c3nc2OCC)no1
InChIInChI=1S/C18H21N3O2/c1-4-6-10-15-19-17(21-23-15)14-11-13-9-7-8-12(3)16(13)20-18(14)22-5-2/h7-9,11H,4-6,10H2,1-3H3
InChIKeyKGKYFDAESDGWNV-UHFFFAOYSA-N
XLogP4.33
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole
CID 2002514
3-(2-ethoxy-8-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 2016493
N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754610
3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
CID 3813118
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
5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4272238
3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 2023299
3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 3830668
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
3-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-butoxy-8-methylquinoline
CID 166436132
N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62716729

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole (CID 3782941) is 5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole is CCCCc1nc(-c2cc3cccc(C)c3nc2OCC)no1.
What is the InChIKey of 5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole?
The InChIKey is KGKYFDAESDGWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-6-10-15-19-17(21-23-15)14-11-13-9-7-8-12(3)16(13)20-18(14)22-5-2/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of 5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole?
5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole has a molecular weight of 311.39 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 3782941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).