N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide

C28H28N4O2 — CID 108794734

IUPACN-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C28H28N4O2/c1-4-34-25-14-13-18(2)17-21(25)19(3)29-26(33)15-16-32-24-12-8-5-9-20(24)27-28(32)31-23-11-7-6-10-22(23)30-27/h5-14,17,19H,4,15-16H2,1-3H3,(H,29,33)
InChIKeyXQYYIVBSCSNKIW-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.71
Rot. Bonds7

About N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide

N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (PubChem CID 108794734) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
PubChem CID108794734
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C28H28N4O2/c1-4-34-25-14-13-18(2)17-21(25)19(3)29-26(33)15-16-32-24-12-8-5-9-20(24)27-28(32)31-23-11-7-6-10-22(23)30-27/h5-14,17,19H,4,15-16H2,1-3H3,(H,29,33)
InChIKeyXQYYIVBSCSNKIW-UHFFFAOYSA-N
XLogP5.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid
CID 108806279
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid
CID 108794724
N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794841
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134031392
4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806370
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51246851
ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 108738829
3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide
CID 108789416
N-(2-fluorophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806337
3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264272
3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737510

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The IUPAC name of N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (CID 108794734) is N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.
What is the SMILES notation for N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The canonical SMILES for N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is CCOc1ccc(C)cc1C(C)NC(=O)CCn1c2ccccc2c2nc3ccccc3nc21.
What is the InChIKey of N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The InChIKey is XQYYIVBSCSNKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-4-34-25-14-13-18(2)17-21(25)19(3)29-26(33)15-16-32-24-12-8-5-9-20(24)27-28(32)31-23-11-7-6-10-22(23)30-27/h5-14,17,19H,4,15-16H2,1-3H3,(H,29,33).
What are the key properties of N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide has a molecular weight of 452.56 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is sourced from PubChem (CID 108794734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).