1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol

C14H17N3O2 — CID 114337641

IUPAC1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCCc1nc(CN2CCC(O)c3ccccc32)no1
InChIInChI=1S/C14H17N3O2/c1-2-14-15-13(16-19-14)9-17-8-7-12(18)10-5-3-4-6-11(10)17/h3-6,12,18H,2,7-9H2,1H3
InChIKeyTVCKJFHAWPYLLS-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.08
Rot. Bonds3

About 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 114337641) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
PubChem CID114337641
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCCc1nc(CN2CCC(O)c3ccccc32)no1
InChIInChI=1S/C14H17N3O2/c1-2-14-15-13(16-19-14)9-17-8-7-12(18)10-5-3-4-6-11(10)17/h3-6,12,18H,2,7-9H2,1H3
InChIKeyTVCKJFHAWPYLLS-UHFFFAOYSA-N
XLogP2.08
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol (CID 114337641) is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol is CCc1nc(CN2CCC(O)c3ccccc32)no1.
What is the InChIKey of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is TVCKJFHAWPYLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-14-15-13(16-19-14)9-17-8-7-12(18)10-5-3-4-6-11(10)17/h3-6,12,18H,2,7-9H2,1H3.
What are the key properties of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 259.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 114337641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).