2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole

C19H22N4O — CID 122154223

IUPAC2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCC(c3ccnc4ccccc34)CC2)o1
InChIInChI=1S/C19H22N4O/c1-2-18-21-22-19(24-18)13-23-11-8-14(9-12-23)15-7-10-20-17-6-4-3-5-16(15)17/h3-7,10,14H,2,8-9,11-13H2,1H3
InChIKeyFJKFEZACMQFLPQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.56
Rot. Bonds4

About 2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole

2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 122154223) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID122154223
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCC(c3ccnc4ccccc34)CC2)o1
InChIInChI=1S/C19H22N4O/c1-2-18-21-22-19(24-18)13-23-11-8-14(9-12-23)15-7-10-20-17-6-4-3-5-16(15)17/h3-7,10,14H,2,8-9,11-13H2,1H3
InChIKeyFJKFEZACMQFLPQ-UHFFFAOYSA-N
XLogP3.56
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (CID 122154223) is 2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is CCc1nnc(CN2CCC(c3ccnc4ccccc34)CC2)o1.
What is the InChIKey of 2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is FJKFEZACMQFLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-18-21-22-19(24-18)13-23-11-8-14(9-12-23)15-7-10-20-17-6-4-3-5-16(15)17/h3-7,10,14H,2,8-9,11-13H2,1H3.
What are the key properties of 2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 322.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 122154223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).