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

C23H24N4O3 — CID 110205311

IUPACN-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
SMILESCOc1cccc2c1ccn2CCNC(=O)CCc1nc2ccccc2n(C)c1=O
InChIInChI=1S/C23H24N4O3/c1-26-20-7-4-3-6-17(20)25-18(23(26)29)10-11-22(28)24-13-15-27-14-12-16-19(27)8-5-9-21(16)30-2/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,24,28)
InChIKeyVABKOACFNKHRAC-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.65
Rot. Bonds7

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

N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide (PubChem CID 110205311) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
PubChem CID110205311
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
SMILESCOc1cccc2c1ccn2CCNC(=O)CCc1nc2ccccc2n(C)c1=O
InChIInChI=1S/C23H24N4O3/c1-26-20-7-4-3-6-17(20)25-18(23(26)29)10-11-22(28)24-13-15-27-14-12-16-19(27)8-5-9-21(16)30-2/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,24,28)
InChIKeyVABKOACFNKHRAC-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-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205717
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 136867017
methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate
CID 71704250
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyindol-1-yl)ethyl]propanamide
CID 71710011
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 71705067
N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 91638636
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 71692027
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide
CID 91640593
N-[2-(4-methoxyindol-1-yl)ethyl]-1-oxo-4H-isoquinoline-4-carboxamide
CID 78149801
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[2-(4-oxoquinazolin-3-yl)ethyl]acetamide
CID 121239049
2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91639450
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide?
The IUPAC name of N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide (CID 110205311) is N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide?
The canonical SMILES for N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide is COc1cccc2c1ccn2CCNC(=O)CCc1nc2ccccc2n(C)c1=O.
What is the InChIKey of N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide?
The InChIKey is VABKOACFNKHRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-26-20-7-4-3-6-17(20)25-18(23(26)29)10-11-22(28)24-13-15-27-14-12-16-19(27)8-5-9-21(16)30-2/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide?
N-[2-(4-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-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide is sourced from PubChem (CID 110205311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).