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

C18H17ClN4O2 — CID 126433400

IUPAC(8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@H](c3ncon3)C2)c2cccc(Cl)c2n1
InChIInChI=1S/C18H17ClN4O2/c1-11-8-14(13-5-2-6-15(19)16(13)21-11)18(24)23-7-3-4-12(9-23)17-20-10-25-22-17/h2,5-6,8,10,12H,3-4,7,9H2,1H3/t12-/m0/s1
InChIKeyXUGUDRZCJKWFFO-LBPRGKRZSA-N
MW356.81 g/mol
LogP3.60
Rot. Bonds2

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

(8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 126433400) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is (8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID126433400
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name(8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@H](c3ncon3)C2)c2cccc(Cl)c2n1
InChIInChI=1S/C18H17ClN4O2/c1-11-8-14(13-5-2-6-15(19)16(13)21-11)18(24)23-7-3-4-12(9-23)17-20-10-25-22-17/h2,5-6,8,10,12H,3-4,7,9H2,1H3/t12-/m0/s1
InChIKeyXUGUDRZCJKWFFO-LBPRGKRZSA-N
XLogP3.60
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 131928416
(1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 136561531
(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
(8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone
CID 46964935
(8-chloro-2-methylquinolin-4-yl)-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methanone
CID 72840919
2-[4-(8-chloro-2-methylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 131918713
(2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 119073266
(7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 124886393
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone
CID 46985286
(3-methylsulfanylphenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892543
(5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892044
8-methoxy-3-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]chromen-2-one
CID 129416514

Frequently Asked Questions

What is the IUPAC name of (8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 126433400) is (8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@H](c3ncon3)C2)c2cccc(Cl)c2n1.
What is the InChIKey of (8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is XUGUDRZCJKWFFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-11-8-14(13-5-2-6-15(19)16(13)21-11)18(24)23-7-3-4-12(9-23)17-20-10-25-22-17/h2,5-6,8,10,12H,3-4,7,9H2,1H3/t12-/m0/s1.
What are the key properties of (8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
(8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 356.81 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126433400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).