[3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone

C19H20N4O2 — CID 136565491

IUPAC[3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone
SMILESCc1nnc(C2CCCN(C(=O)c3ccc(C)c4cccnc34)C2)o1
InChIInChI=1S/C19H20N4O2/c1-12-7-8-16(17-15(12)6-3-9-20-17)19(24)23-10-4-5-14(11-23)18-22-21-13(2)25-18/h3,6-9,14H,4-5,10-11H2,1-2H3
InChIKeyMUSGZNGANJJHKY-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.25
Rot. Bonds2

About [3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone

[3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone (PubChem CID 136565491) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is [3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone.

Molecular Properties

Compound Name[3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone
PubChem CID136565491
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name[3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone
SMILESCc1nnc(C2CCCN(C(=O)c3ccc(C)c4cccnc34)C2)o1
InChIInChI=1S/C19H20N4O2/c1-12-7-8-16(17-15(12)6-3-9-20-17)19(24)23-10-4-5-14(11-23)18-22-21-13(2)25-18/h3,6-9,14H,4-5,10-11H2,1-2H3
InChIKeyMUSGZNGANJJHKY-UHFFFAOYSA-N
XLogP3.25
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone
CID 136565552
(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491888
2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 166368655
(2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 95849840
7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 136564870
azetidin-1-yl-(5-chloroquinolin-8-yl)methanone
CID 166196760
N-(8-methylquinolin-5-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 118766209
[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 34729954
[2-(dimethylamino)-3-pyridinyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94570501
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-hydroxy-3,4-dimethylphenyl)methanone
CID 87016631
(3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 71654170
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone?
The IUPAC name of [3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone (CID 136565491) is [3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone.
What is the SMILES notation for [3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone?
The canonical SMILES for [3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone is Cc1nnc(C2CCCN(C(=O)c3ccc(C)c4cccnc34)C2)o1.
What is the InChIKey of [3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone?
The InChIKey is MUSGZNGANJJHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-7-8-16(17-15(12)6-3-9-20-17)19(24)23-10-4-5-14(11-23)18-22-21-13(2)25-18/h3,6-9,14H,4-5,10-11H2,1-2H3.
What are the key properties of [3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone?
[3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone has a molecular weight of 336.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone is sourced from PubChem (CID 136565491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).