5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C22H24N2O3S — CID 23652354

IUPAC5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCN1c2ccccc2CCC1COc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C22H24N2O3S/c1-2-24-17(10-9-16-5-3-4-6-19(16)24)14-27-18-11-7-15(8-12-18)13-20-21(25)23-22(26)28-20/h3-8,11-12,17,20H,2,9-10,13-14H2,1H3,(H,23,25,26)
InChIKeyGIADYKWOBGOEIZ-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.80
Rot. Bonds6

About 5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 23652354) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID23652354
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCN1c2ccccc2CCC1COc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C22H24N2O3S/c1-2-24-17(10-9-16-5-3-4-6-19(16)24)14-27-18-11-7-15(8-12-18)13-20-21(25)23-22(26)28-20/h3-8,11-12,17,20H,2,9-10,13-14H2,1H3,(H,23,25,26)
InChIKeyGIADYKWOBGOEIZ-UHFFFAOYSA-N
XLogP3.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 12944221
5-[[4-[[4-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416575
5-[[4-[(4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 139709213
[4-[[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenyl] acetate
CID 6976399
5-[[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22118748
5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 12944217
5-[[4-[5-[3-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416604
sodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 173367553
3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]propanal
CID 10492928
5-[[4-(4-bromobutoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141462409
5-[[4-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 25230336

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 23652354) is 5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CCN1c2ccccc2CCC1COc1ccc(CC2SC(=O)NC2=O)cc1.
What is the InChIKey of 5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is GIADYKWOBGOEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-2-24-17(10-9-16-5-3-4-6-19(16)24)14-27-18-11-7-15(8-12-18)13-20-21(25)23-22(26)28-20/h3-8,11-12,17,20H,2,9-10,13-14H2,1H3,(H,23,25,26).
What are the key properties of 5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 396.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(1-ethyl-3,4-dihydro-2H-quinolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 23652354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).