4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one

C26H28N4O3 — CID 91946432

IUPAC4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one
SMILESCc1ccc(-c2noc(C3CCN(C(=O)c4ccc5c(c4)C(C)(C)CC(=O)N5)CC3)n2)cc1
InChIInChI=1S/C26H28N4O3/c1-16-4-6-17(7-5-16)23-28-24(33-29-23)18-10-12-30(13-11-18)25(32)19-8-9-21-20(14-19)26(2,3)15-22(31)27-21/h4-9,14,18H,10-13,15H2,1-3H3,(H,27,31)
InChIKeyREPDWCOPMSCYHV-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.68
Rot. Bonds3

About 4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one

4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one (PubChem CID 91946432) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one
PubChem CID91946432
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one
SMILESCc1ccc(-c2noc(C3CCN(C(=O)c4ccc5c(c4)C(C)(C)CC(=O)N5)CC3)n2)cc1
InChIInChI=1S/C26H28N4O3/c1-16-4-6-17(7-5-16)23-28-24(33-29-23)18-10-12-30(13-11-18)25(32)19-8-9-21-20(14-19)26(2,3)15-22(31)27-21/h4-9,14,18H,10-13,15H2,1-3H3,(H,27,31)
InChIKeyREPDWCOPMSCYHV-UHFFFAOYSA-N
XLogP4.68
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one with MolForge

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Related Compounds

(3,5-dimethylphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051382
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
(3-methyl-1,2-oxazol-5-yl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91946404
(4-ethoxyphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051394
5-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyridin-2-one
CID 91946434
(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53032681
N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130383
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 91946497
(3-methyl-4-nitrophenyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53051352
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-nitrophenyl)methanone
CID 4010347

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one?
The IUPAC name of 4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one (CID 91946432) is 4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one?
The canonical SMILES for 4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one is Cc1ccc(-c2noc(C3CCN(C(=O)c4ccc5c(c4)C(C)(C)CC(=O)N5)CC3)n2)cc1.
What is the InChIKey of 4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one?
The InChIKey is REPDWCOPMSCYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-16-4-6-17(7-5-16)23-28-24(33-29-23)18-10-12-30(13-11-18)25(32)19-8-9-21-20(14-19)26(2,3)15-22(31)27-21/h4-9,14,18H,10-13,15H2,1-3H3,(H,27,31).
What are the key properties of 4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one?
4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one has a molecular weight of 444.54 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 91946432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).