2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one

C21H24N4O3 — CID 156607088

IUPAC2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one
SMILESCc1cc(=O)c2ccccc2n1CC(=O)N1CCCC1c1nc(C(C)C)no1
InChIInChI=1S/C21H24N4O3/c1-13(2)20-22-21(28-23-20)17-9-6-10-24(17)19(27)12-25-14(3)11-18(26)15-7-4-5-8-16(15)25/h4-5,7-8,11,13,17H,6,9-10,12H2,1-3H3
InChIKeyDDULGYQHSPTYMD-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.18
Rot. Bonds4

About 2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one

2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one (PubChem CID 156607088) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one.

Molecular Properties

Compound Name2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one
PubChem CID156607088
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one
SMILESCc1cc(=O)c2ccccc2n1CC(=O)N1CCCC1c1nc(C(C)C)no1
InChIInChI=1S/C21H24N4O3/c1-13(2)20-22-21(28-23-20)17-9-6-10-24(17)19(27)12-25-14(3)11-18(26)15-7-4-5-8-16(15)25/h4-5,7-8,11,13,17H,6,9-10,12H2,1-3H3
InChIKeyDDULGYQHSPTYMD-UHFFFAOYSA-N
XLogP3.18
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4,6-dimethyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]pyrimidin-2-one
CID 72871110
2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91775202
2-(methylamino)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56862607
1H-indazol-3-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70728158
2-(3-methoxyphenyl)sulfanyl-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 72854515
1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 125154868
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70787503
(2-methyl-3H-benzimidazol-5-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70740975
(3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 95221174
2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 118785471
1-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 97125030

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one?
The IUPAC name of 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) is 2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one.
What is the SMILES notation for 2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one?
The canonical SMILES for 2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one is Cc1cc(=O)c2ccccc2n1CC(=O)N1CCCC1c1nc(C(C)C)no1.
What is the InChIKey of 2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one?
The InChIKey is DDULGYQHSPTYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13(2)20-22-21(28-23-20)17-9-6-10-24(17)19(27)12-25-14(3)11-18(26)15-7-4-5-8-16(15)25/h4-5,7-8,11,13,17H,6,9-10,12H2,1-3H3.
What are the key properties of 2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one?
2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one has a molecular weight of 380.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one is sourced from PubChem (CID 156607088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).