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

C22H25ClN4O2 — CID 131928416

IUPAC(8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nc(CC(C)C)no3)C2)c2cccc(Cl)c2n1
InChIInChI=1S/C22H25ClN4O2/c1-13(2)10-19-25-21(29-26-19)15-6-5-9-27(12-15)22(28)17-11-14(3)24-20-16(17)7-4-8-18(20)23/h4,7-8,11,13,15H,5-6,9-10,12H2,1-3H3
InChIKeyDMFYNKLUHQLWCZ-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.80
Rot. Bonds4

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

(8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 131928416) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is (8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID131928416
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name(8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nc(CC(C)C)no3)C2)c2cccc(Cl)c2n1
InChIInChI=1S/C22H25ClN4O2/c1-13(2)10-19-25-21(29-26-19)15-6-5-9-27(12-15)22(28)17-11-14(3)24-20-16(17)7-4-8-18(20)23/h4,7-8,11,13,15H,5-6,9-10,12H2,1-3H3
InChIKeyDMFYNKLUHQLWCZ-UHFFFAOYSA-N
XLogP4.80
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 126433400
3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 91778298
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 95227905
(4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 120864845
(8-chloro-2-methylquinolin-4-yl)-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methanone
CID 72840919
2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95143538
4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 94570308
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 47061013
[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 56728060
[2-[(2-chlorophenyl)methoxy]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 60525709
[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 56728046
(3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 56686247

Frequently Asked Questions

What is the IUPAC name of (8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 131928416) is (8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(c3nc(CC(C)C)no3)C2)c2cccc(Cl)c2n1.
What is the InChIKey of (8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is DMFYNKLUHQLWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-13(2)10-19-25-21(29-26-19)15-6-5-9-27(12-15)22(28)17-11-14(3)24-20-16(17)7-4-8-18(20)23/h4,7-8,11,13,15H,5-6,9-10,12H2,1-3H3.
What are the key properties of (8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 412.92 g/mol, XLogP of 4.80, 4 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)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 131928416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).