2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide

C24H17N3O2S — CID 11825770

IUPAC2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide
SMILESO=C(Nc1ccc2ncccc2c1)C(=O)c1cn(Cc2cccs2)c2ccccc12
InChIInChI=1S/C24H17N3O2S/c28-23(24(29)26-17-9-10-21-16(13-17)5-3-11-25-21)20-15-27(14-18-6-4-12-30-18)22-8-2-1-7-19(20)22/h1-13,15H,14H2,(H,26,29)
InChIKeyZZJYHQQXYFCXGV-UHFFFAOYSA-N
MW411.49 g/mol
LogP5.12
Rot. Bonds5

About 2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide

2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide (PubChem CID 11825770) has the molecular formula C24H17N3O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is 2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide.

Molecular Properties

Compound Name2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide
PubChem CID11825770
Molecular FormulaC24H17N3O2S
Molecular Weight411.49 g/mol
Exact Mass411.10
IUPAC Name2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide
SMILESO=C(Nc1ccc2ncccc2c1)C(=O)c1cn(Cc2cccs2)c2ccccc12
InChIInChI=1S/C24H17N3O2S/c28-23(24(29)26-17-9-10-21-16(13-17)5-3-11-25-21)20-15-27(14-18-6-4-12-30-18)22-8-2-1-7-19(20)22/h1-13,15H,14H2,(H,26,29)
InChIKeyZZJYHQQXYFCXGV-UHFFFAOYSA-N
XLogP5.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide?
The IUPAC name of 2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide (CID 11825770) is 2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide.
What is the SMILES notation for 2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide?
The canonical SMILES for 2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide is O=C(Nc1ccc2ncccc2c1)C(=O)c1cn(Cc2cccs2)c2ccccc12.
What is the InChIKey of 2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide?
The InChIKey is ZZJYHQQXYFCXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2S/c28-23(24(29)26-17-9-10-21-16(13-17)5-3-11-25-21)20-15-27(14-18-6-4-12-30-18)22-8-2-1-7-19(20)22/h1-13,15H,14H2,(H,26,29).
What are the key properties of 2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide?
2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide has a molecular weight of 411.49 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide is sourced from PubChem (CID 11825770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).