5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one

C24H19ClN4O3 — CID 50837969

IUPAC5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1=O)N1CCCc2ccccc21
InChIInChI=1S/C24H19ClN4O3/c25-19-10-7-17(8-11-19)23-26-24(32-27-23)18-9-12-21(30)28(14-18)15-22(31)29-13-3-5-16-4-1-2-6-20(16)29/h1-2,4,6-12,14H,3,5,13,15H2
InChIKeyWJKODUDSMGLDCZ-UHFFFAOYSA-N
MW446.89 g/mol
LogP4.20
Rot. Bonds4

About 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one

5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 50837969) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one
PubChem CID50837969
Molecular FormulaC24H19ClN4O3
Molecular Weight446.89 g/mol
Exact Mass446.11
IUPAC Name5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1=O)N1CCCc2ccccc21
InChIInChI=1S/C24H19ClN4O3/c25-19-10-7-17(8-11-19)23-26-24(32-27-23)18-9-12-21(30)28(14-18)15-22(31)29-13-3-5-16-4-1-2-6-20(16)29/h1-2,4,6-12,14H,3,5,13,15H2
InChIKeyWJKODUDSMGLDCZ-UHFFFAOYSA-N
XLogP4.20
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55704982
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47505336
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one
CID 50838002
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 71784273
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-morpholin-4-ylsulfonylpyridin-2-one
CID 53170655
ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate
CID 50837998
3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 46358224
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 133321313
1-(4-chlorophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16798461
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 2433301
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone
CID 646381
2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 18569160

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one (CID 50837969) is 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one is O=C(Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1=O)N1CCCc2ccccc21.
What is the InChIKey of 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is WJKODUDSMGLDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c25-19-10-7-17(8-11-19)23-26-24(32-27-23)18-9-12-21(30)28(14-18)15-22(31)29-13-3-5-16-4-1-2-6-20(16)29/h1-2,4,6-12,14H,3,5,13,15H2.
What are the key properties of 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one?
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 446.89 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 50837969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).