5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione

C20H23N3O3S — CID 21469300

IUPAC5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2cnc3cc(OCCN4CCCCC4)ccc3c2)S1
InChIInChI=1S/C20H23N3O3S/c24-19-18(27-20(25)22-19)11-14-10-15-4-5-16(12-17(15)21-13-14)26-9-8-23-6-2-1-3-7-23/h4-5,10,12-13,18H,1-3,6-9,11H2,(H,22,24,25)
InChIKeyXDKRIGOGJVUWSK-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.99
Rot. Bonds6

About 5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione

5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 21469300) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID21469300
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2cnc3cc(OCCN4CCCCC4)ccc3c2)S1
InChIInChI=1S/C20H23N3O3S/c24-19-18(27-20(25)22-19)11-14-10-15-4-5-16(12-17(15)21-13-14)26-9-8-23-6-2-1-3-7-23/h4-5,10,12-13,18H,1-3,6-9,11H2,(H,22,24,25)
InChIKeyXDKRIGOGJVUWSK-UHFFFAOYSA-N
XLogP2.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 21469317
5-[[7-[2-(1,3-benzoxazol-2-yl)ethoxy]quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 21469318
3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline
CID 18678270
5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141191871
3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482
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
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-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22118748
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-[[6-[2-(4-aminophenyl)ethoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 86587775
5-[[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14546516

Frequently Asked Questions

What is the IUPAC name of 5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione (CID 21469300) is 5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2cnc3cc(OCCN4CCCCC4)ccc3c2)S1.
What is the InChIKey of 5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is XDKRIGOGJVUWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-19-18(27-20(25)22-19)11-14-10-15-4-5-16(12-17(15)21-13-14)26-9-8-23-6-2-1-3-7-23/h4-5,10,12-13,18H,1-3,6-9,11H2,(H,22,24,25).
What are the key properties of 5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 385.49 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 21469300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).