N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide

C23H24N4O3 — CID 7657010

IUPACN'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)C(=O)NCCc3c[nH]c4ccccc34)ccc21
InChIInChI=1S/C23H24N4O3/c1-15(28)27-12-4-5-16-13-18(8-9-21(16)27)26-23(30)22(29)24-11-10-17-14-25-20-7-3-2-6-19(17)20/h2-3,6-9,13-14,25H,4-5,10-12H2,1H3,(H,24,29)(H,26,30)
InChIKeyFRCYRMDGMCNAQD-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.76
Rot. Bonds4

About N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide

N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide (PubChem CID 7657010) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
PubChem CID7657010
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)C(=O)NCCc3c[nH]c4ccccc34)ccc21
InChIInChI=1S/C23H24N4O3/c1-15(28)27-12-4-5-16-13-18(8-9-21(16)27)26-23(30)22(29)24-11-10-17-14-25-20-7-3-2-6-19(17)20/h2-3,6-9,13-14,25H,4-5,10-12H2,1H3,(H,24,29)(H,26,30)
InChIKeyFRCYRMDGMCNAQD-UHFFFAOYSA-N
XLogP2.76
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108505742
N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide
CID 51468139
1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 78820847
N'-[4-(dimethylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7585548
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463
N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide
CID 108985760
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537
N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
CID 51043915
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid
CID 122078494
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
CID 53270372
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 7586304

Frequently Asked Questions

What is the IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide (CID 7657010) is N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide is CC(=O)N1CCCc2cc(NC(=O)C(=O)NCCc3c[nH]c4ccccc34)ccc21.
What is the InChIKey of N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The InChIKey is FRCYRMDGMCNAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15(28)27-12-4-5-16-13-18(8-9-21(16)27)26-23(30)22(29)24-11-10-17-14-25-20-7-3-2-6-19(17)20/h2-3,6-9,13-14,25H,4-5,10-12H2,1H3,(H,24,29)(H,26,30).
What are the key properties of N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide has a molecular weight of 404.47 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide is sourced from PubChem (CID 7657010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).