N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide

C23H24N4O3 — CID 110205717

IUPACN-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
SMILESCOc1ccc2c(ccn2CCNC(=O)CCc2nc3ccccc3n(C)c2=O)c1
InChIInChI=1S/C23H24N4O3/c1-26-21-6-4-3-5-18(21)25-19(23(26)29)8-10-22(28)24-12-14-27-13-11-16-15-17(30-2)7-9-20(16)27/h3-7,9,11,13,15H,8,10,12,14H2,1-2H3,(H,24,28)
InChIKeyZLIUBWVQMCHAJV-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.65
Rot. Bonds7

About N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide

N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide (PubChem CID 110205717) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
PubChem CID110205717
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
SMILESCOc1ccc2c(ccn2CCNC(=O)CCc2nc3ccccc3n(C)c2=O)c1
InChIInChI=1S/C23H24N4O3/c1-26-21-6-4-3-5-18(21)25-19(23(26)29)8-10-22(28)24-12-14-27-13-11-16-15-17(30-2)7-9-20(16)27/h3-7,9,11,13,15H,8,10,12,14H2,1-2H3,(H,24,28)
InChIKeyZLIUBWVQMCHAJV-UHFFFAOYSA-N
XLogP2.65
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205311
methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate
CID 71704250
N-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 91637888
2-(3-acetylindol-1-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide
CID 56763655
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 71692027
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 38091464
methyl (2R)-2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]-4-methylsulfanylbutanoate
CID 124661124
3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 110210186
N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
CID 17447565
3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
CID 108750509
2-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)acetamide
CID 5244033
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide
CID 18119415

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide?
The IUPAC name of N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide (CID 110205717) is N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide?
The canonical SMILES for N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide is COc1ccc2c(ccn2CCNC(=O)CCc2nc3ccccc3n(C)c2=O)c1.
What is the InChIKey of N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide?
The InChIKey is ZLIUBWVQMCHAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-26-21-6-4-3-5-18(21)25-19(23(26)29)8-10-22(28)24-12-14-27-13-11-16-15-17(30-2)7-9-20(16)27/h3-7,9,11,13,15H,8,10,12,14H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide?
N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide has a molecular weight of 404.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide is sourced from PubChem (CID 110205717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).