4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one

C17H16N4O4 — CID 129001862

IUPAC4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one
SMILESCc1nnc(C2CN(C(=O)c3cc(=O)[nH]c4ccccc34)CCO2)o1
InChIInChI=1S/C17H16N4O4/c1-10-19-20-16(25-10)14-9-21(6-7-24-14)17(23)12-8-15(22)18-13-5-3-2-4-11(12)13/h2-5,8,14H,6-7,9H2,1H3,(H,18,22)
InChIKeyJWKSLCVJCCAQEP-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.43
Rot. Bonds2

About 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one

4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one (PubChem CID 129001862) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one
PubChem CID129001862
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one
SMILESCc1nnc(C2CN(C(=O)c3cc(=O)[nH]c4ccccc34)CCO2)o1
InChIInChI=1S/C17H16N4O4/c1-10-19-20-16(25-10)14-9-21(6-7-24-14)17(23)12-8-15(22)18-13-5-3-2-4-11(12)13/h2-5,8,14H,6-7,9H2,1H3,(H,18,22)
InChIKeyJWKSLCVJCCAQEP-UHFFFAOYSA-N
XLogP1.43
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 129326425
4-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 31415081
2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327666
(2,3-dimethyl-1H-indol-5-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326330
(3-methyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325788
(3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327895
4-[(2S)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137106030
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
(4,5-dimethylthiophen-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326186
4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 52528403
[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 129326893

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one (CID 129001862) is 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one is Cc1nnc(C2CN(C(=O)c3cc(=O)[nH]c4ccccc34)CCO2)o1.
What is the InChIKey of 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one?
The InChIKey is JWKSLCVJCCAQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-10-19-20-16(25-10)14-9-21(6-7-24-14)17(23)12-8-15(22)18-13-5-3-2-4-11(12)13/h2-5,8,14H,6-7,9H2,1H3,(H,18,22).
What are the key properties of 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one?
4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one has a molecular weight of 340.34 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 129001862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).