2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one

C21H23N3O3 — CID 91775202

IUPAC2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESCc1cc(C2CCCCN2C(=O)Cn2c(C)cc(=O)c3ccccc32)no1
InChIInChI=1S/C21H23N3O3/c1-14-11-20(25)16-7-3-4-8-18(16)24(14)13-21(26)23-10-6-5-9-19(23)17-12-15(2)27-22-17/h3-4,7-8,11-12,19H,5-6,9-10,13H2,1-2H3
InChIKeyOKGWAAUBWDRXJM-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.36
Rot. Bonds3

About 2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one

2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one (PubChem CID 91775202) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one.

Molecular Properties

Compound Name2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one
PubChem CID91775202
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESCc1cc(C2CCCCN2C(=O)Cn2c(C)cc(=O)c3ccccc32)no1
InChIInChI=1S/C21H23N3O3/c1-14-11-20(25)16-7-3-4-8-18(16)24(14)13-21(26)23-10-6-5-9-19(23)17-12-15(2)27-22-17/h3-4,7-8,11-12,19H,5-6,9-10,13H2,1-2H3
InChIKeyOKGWAAUBWDRXJM-UHFFFAOYSA-N
XLogP3.36
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one with MolForge

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Related Compounds

2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one
CID 72902416
2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one
CID 156607088
2-(1-methylindol-3-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 94813165
2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 94813166
2-ethoxy-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 91760961
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one
CID 97283695
2-[benzyl(methyl)amino]-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 51097378
3-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 157017436
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 91796757

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one?
The IUPAC name of 2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one (CID 91775202) is 2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one.
What is the SMILES notation for 2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one?
The canonical SMILES for 2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one is Cc1cc(C2CCCCN2C(=O)Cn2c(C)cc(=O)c3ccccc32)no1.
What is the InChIKey of 2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one?
The InChIKey is OKGWAAUBWDRXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-11-20(25)16-7-3-4-8-18(16)24(14)13-21(26)23-10-6-5-9-19(23)17-12-15(2)27-22-17/h3-4,7-8,11-12,19H,5-6,9-10,13H2,1-2H3.
What are the key properties of 2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one?
2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one has a molecular weight of 365.43 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one is sourced from PubChem (CID 91775202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).