5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione

C20H25N3O4S — CID 87066095

IUPAC5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(C(CC2CCNCC2)C2SC(=O)NC2=O)c2c1NC(=O)CC2
InChIInChI=1S/C20H25N3O4S/c1-27-15-4-2-12(13-3-5-16(24)22-17(13)15)14(10-11-6-8-21-9-7-11)18-19(25)23-20(26)28-18/h2,4,11,14,18,21H,3,5-10H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyWDPAFHHSLSRXBO-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.40
Rot. Bonds5

About 5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione

5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 87066095) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione
PubChem CID87066095
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(C(CC2CCNCC2)C2SC(=O)NC2=O)c2c1NC(=O)CC2
InChIInChI=1S/C20H25N3O4S/c1-27-15-4-2-12(13-3-5-16(24)22-17(13)15)14(10-11-6-8-21-9-7-11)18-19(25)23-20(26)28-18/h2,4,11,14,18,21H,3,5-10H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyWDPAFHHSLSRXBO-UHFFFAOYSA-N
XLogP2.40
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione (CID 87066095) is 5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione is COc1ccc(C(CC2CCNCC2)C2SC(=O)NC2=O)c2c1NC(=O)CC2.
What is the InChIKey of 5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is WDPAFHHSLSRXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-27-15-4-2-12(13-3-5-16(24)22-17(13)15)14(10-11-6-8-21-9-7-11)18-19(25)23-20(26)28-18/h2,4,11,14,18,21H,3,5-10H2,1H3,(H,22,24)(H,23,25,26).
What are the key properties of 5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione?
5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 403.50 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87066095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).