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

C23H17N3O3S — CID 21469317

IUPAC5-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2cnc3cc(OCc4ccc5ccccc5n4)ccc3c2)S1
InChIInChI=1S/C23H17N3O3S/c27-22-21(30-23(28)26-22)10-14-9-16-6-8-18(11-20(16)24-12-14)29-13-17-7-5-15-3-1-2-4-19(15)25-17/h1-9,11-12,21H,10,13H2,(H,26,27,28)
InChIKeyNXRMBFRILFGFDK-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.26
Rot. Bonds5

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

5-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 21469317) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is 5-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID21469317
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC Name5-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2cnc3cc(OCc4ccc5ccccc5n4)ccc3c2)S1
InChIInChI=1S/C23H17N3O3S/c27-22-21(30-23(28)26-22)10-14-9-16-6-8-18(11-20(16)24-12-14)29-13-17-7-5-15-3-1-2-4-19(15)25-17/h1-9,11-12,21H,10,13H2,(H,26,27,28)
InChIKeyNXRMBFRILFGFDK-UHFFFAOYSA-N
XLogP4.26
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
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-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione (CID 21469317) is 5-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2cnc3cc(OCc4ccc5ccccc5n4)ccc3c2)S1.
What is the InChIKey of 5-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is NXRMBFRILFGFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c27-22-21(30-23(28)26-22)10-14-9-16-6-8-18(11-20(16)24-12-14)29-13-17-7-5-15-3-1-2-4-19(15)25-17/h1-9,11-12,21H,10,13H2,(H,26,27,28).
What are the key properties of 5-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 415.47 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-(quinolin-2-ylmethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 21469317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).