(2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C19H20N4O2 — CID 119073266

IUPAC(2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc2c(C)cccc2cc1C(=O)N1CCC(c2ncon2)CC1
InChIInChI=1S/C19H20N4O2/c1-12-4-3-5-15-10-16(13(2)21-17(12)15)19(24)23-8-6-14(7-9-23)18-20-11-25-22-18/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyVNRPMQSWAFMSMW-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.25
Rot. Bonds2

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

(2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 119073266) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID119073266
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc2c(C)cccc2cc1C(=O)N1CCC(c2ncon2)CC1
InChIInChI=1S/C19H20N4O2/c1-12-4-3-5-15-10-16(13(2)21-17(12)15)19(24)23-8-6-14(7-9-23)18-20-11-25-22-18/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyVNRPMQSWAFMSMW-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 ≤ 500336.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

2-[3-[1-(2,8-dimethylquinoline-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 56710759
(1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118777346
(8aS)-7-(2,8-dimethylquinoline-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126430589
8-methoxy-3-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]chromen-2-one
CID 129416514
1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 166301319
1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 72863951
(8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 126433400
2H-benzotriazol-5-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118789435
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118780350
(2,8-dimethylquinolin-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 119064930
(5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892044
3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 118767734

Frequently Asked Questions

What is the IUPAC name of (2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 119073266) is (2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cc1nc2c(C)cccc2cc1C(=O)N1CCC(c2ncon2)CC1.
What is the InChIKey of (2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is VNRPMQSWAFMSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-4-3-5-15-10-16(13(2)21-17(12)15)19(24)23-8-6-14(7-9-23)18-20-11-25-22-18/h3-5,10-11,14H,6-9H2,1-2H3.
What are the key properties of (2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
(2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 336.40 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 (2,8-dimethylquinolin-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119073266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).