3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione

C25H22N4O4 — CID 167965704

IUPAC3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCN(C)c1cccc(Oc2ccc(-c3noc(-c4cc5c([nH]c4=O)CCCC5=O)n3)cc2)c1
InChIInChI=1S/C25H22N4O4/c1-29(2)16-5-3-6-18(13-16)32-17-11-9-15(10-12-17)23-27-25(33-28-23)20-14-19-21(26-24(20)31)7-4-8-22(19)30/h3,5-6,9-14H,4,7-8H2,1-2H3,(H,26,31)
InChIKeyZUKOFFSXTNIQLA-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.47
Rot. Bonds5

About 3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione

3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 167965704) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID167965704
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCN(C)c1cccc(Oc2ccc(-c3noc(-c4cc5c([nH]c4=O)CCCC5=O)n3)cc2)c1
InChIInChI=1S/C25H22N4O4/c1-29(2)16-5-3-6-18(13-16)32-17-11-9-15(10-12-17)23-27-25(33-28-23)20-14-19-21(26-24(20)31)7-4-8-22(19)30/h3,5-6,9-14H,4,7-8H2,1-2H3,(H,26,31)
InChIKeyZUKOFFSXTNIQLA-UHFFFAOYSA-N
XLogP4.47
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione with MolForge

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Related Compounds

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride
CID 137096058
3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline
CID 126808405
3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 137096135
N-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 167868529
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 138028899
5-(2,4-dimethoxyphenyl)-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)-1,2,4-oxadiazole
CID 173074385
6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065747
3-methyl-4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 172890266
N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline
CID 143373932
N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 50769624
4-[3-[4-(3-iodophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol
CID 138605873
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
CID 126805827

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 167965704) is 3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione is CN(C)c1cccc(Oc2ccc(-c3noc(-c4cc5c([nH]c4=O)CCCC5=O)n3)cc2)c1.
What is the InChIKey of 3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is ZUKOFFSXTNIQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-29(2)16-5-3-6-18(13-16)32-17-11-9-15(10-12-17)23-27-25(33-28-23)20-14-19-21(26-24(20)31)7-4-8-22(19)30/h3,5-6,9-14H,4,7-8H2,1-2H3,(H,26,31).
What are the key properties of 3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 442.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[3-(dimethylamino)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 167965704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).