2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide

C21H21N3O2 — CID 108505742

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H21N3O2/c25-20(21(26)24-13-5-7-15-6-1-4-10-19(15)24)22-12-11-16-14-23-18-9-3-2-8-17(16)18/h1-4,6,8-10,14,23H,5,7,11-13H2,(H,22,25)
InChIKeyVLGFQHHFEIFKCN-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.81
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide (PubChem CID 108505742) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
PubChem CID108505742
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H21N3O2/c25-20(21(26)24-13-5-7-15-6-1-4-10-19(15)24)22-12-11-16-14-23-18-9-3-2-8-17(16)18/h1-4,6,8-10,14,23H,5,7,11-13H2,(H,22,25)
InChIKeyVLGFQHHFEIFKCN-UHFFFAOYSA-N
XLogP2.81
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985214
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7657010
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985370
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659250
N-[2-(1H-indol-3-yl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44892225
2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985213
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530712
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108532064
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111972228
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26551169
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
CID 53270372

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide (CID 108505742) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide is O=C(NCCc1c[nH]c2ccccc12)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
The InChIKey is VLGFQHHFEIFKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(21(26)24-13-5-7-15-6-1-4-10-19(15)24)22-12-11-16-14-23-18-9-3-2-8-17(16)18/h1-4,6,8-10,14,23H,5,7,11-13H2,(H,22,25).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide has a molecular weight of 347.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 108505742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).