2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one

C19H22N4O3 — CID 97121322

IUPAC2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one
SMILESCCc1nc(C[C@H]2CN(Cc3cc(=O)c4ccccc4[nH]3)CCO2)no1
InChIInChI=1S/C19H22N4O3/c1-2-19-21-18(22-26-19)10-14-12-23(7-8-25-14)11-13-9-17(24)15-5-3-4-6-16(15)20-13/h3-6,9,14H,2,7-8,10-12H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyXUWJVLCHPZIOLU-AWEZNQCLSA-N
MW354.41 g/mol
LogP1.92
Rot. Bonds5

About 2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one

2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one (PubChem CID 97121322) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one
PubChem CID97121322
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one
SMILESCCc1nc(C[C@H]2CN(Cc3cc(=O)c4ccccc4[nH]3)CCO2)no1
InChIInChI=1S/C19H22N4O3/c1-2-19-21-18(22-26-19)10-14-12-23(7-8-25-14)11-13-9-17(24)15-5-3-4-6-16(15)20-13/h3-6,9,14H,2,7-8,10-12H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyXUWJVLCHPZIOLU-AWEZNQCLSA-N
XLogP1.92
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
CID 97272782
(2R)-N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
CID 97276864
N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
CID 72886432
2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 166334205
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 56880097
(2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide
CID 97284024
5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 124757385
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580394
(2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide
CID 97259995
3-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-1H-quinolin-2-one
CID 56875111
2-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 30673550
3-[2-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 72845068

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one (CID 97121322) is 2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one is CCc1nc(C[C@H]2CN(Cc3cc(=O)c4ccccc4[nH]3)CCO2)no1.
What is the InChIKey of 2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one?
The InChIKey is XUWJVLCHPZIOLU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-2-19-21-18(22-26-19)10-14-12-23(7-8-25-14)11-13-9-17(24)15-5-3-4-6-16(15)20-13/h3-6,9,14H,2,7-8,10-12H2,1H3,(H,20,24)/t14-/m0/s1.
What are the key properties of 2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one?
2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one has a molecular weight of 354.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 97121322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).