2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide

C29H28N4O2 — CID 171476870

IUPAC2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCCOCCn1cc(CC(=O)NCc2ccccn2)c2cc(-c3ccc4ncccc4c3)ccc21
InChIInChI=1S/C29H28N4O2/c1-2-35-15-14-33-20-24(18-29(34)32-19-25-7-3-4-12-30-25)26-17-22(9-11-28(26)33)21-8-10-27-23(16-21)6-5-13-31-27/h3-13,16-17,20H,2,14-15,18-19H2,1H3,(H,32,34)
InChIKeyUQQYOLLQMYJSGC-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.15
Rot. Bonds9

About 2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 171476870) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID171476870
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC Name2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCCOCCn1cc(CC(=O)NCc2ccccn2)c2cc(-c3ccc4ncccc4c3)ccc21
InChIInChI=1S/C29H28N4O2/c1-2-35-15-14-33-20-24(18-29(34)32-19-25-7-3-4-12-30-25)26-17-22(9-11-28(26)33)21-8-10-27-23(16-21)6-5-13-31-27/h3-13,16-17,20H,2,14-15,18-19H2,1H3,(H,32,34)
InChIKeyUQQYOLLQMYJSGC-UHFFFAOYSA-N
XLogP5.15
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 171476870) is 2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide is CCOCCn1cc(CC(=O)NCc2ccccn2)c2cc(-c3ccc4ncccc4c3)ccc21.
What is the InChIKey of 2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is UQQYOLLQMYJSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2/c1-2-35-15-14-33-20-24(18-29(34)32-19-25-7-3-4-12-30-25)26-17-22(9-11-28(26)33)21-8-10-27-23(16-21)6-5-13-31-27/h3-13,16-17,20H,2,14-15,18-19H2,1H3,(H,32,34).
What are the key properties of 2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 464.57 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyethyl)-5-quinolin-6-ylindol-3-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 171476870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).