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

C18H22N4O2 — CID 54580342

IUPAC3,4-dihydro-2H-quinolin-1-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)N3CCCc4ccccc43)CC2)n1
InChIInChI=1S/C18H22N4O2/c1-13-19-17(24-20-13)15-8-11-21(12-9-15)18(23)22-10-4-6-14-5-2-3-7-16(14)22/h2-3,5,7,15H,4,6,8-12H2,1H3
InChIKeyKLDYZCBCDQPKNW-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.13
Rot. Bonds1

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

3,4-dihydro-2H-quinolin-1-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 54580342) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID54580342
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)N3CCCc4ccccc43)CC2)n1
InChIInChI=1S/C18H22N4O2/c1-13-19-17(24-20-13)15-8-11-21(12-9-15)18(23)22-10-4-6-14-5-2-3-7-16(14)22/h2-3,5,7,15H,4,6,8-12H2,1H3
InChIKeyKLDYZCBCDQPKNW-UHFFFAOYSA-N
XLogP3.13
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 54580342) is 3,4-dihydro-2H-quinolin-1-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1noc(C2CCN(C(=O)N3CCCc4ccccc43)CC2)n1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is KLDYZCBCDQPKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-19-17(24-20-13)15-8-11-21(12-9-15)18(23)22-10-4-6-14-5-2-3-7-16(14)22/h2-3,5,7,15H,4,6,8-12H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 54580342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).