N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide

C22H21N3O2 — CID 136625036

IUPACN-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
SMILESCC(=O)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(O)cc1CC2
InChIInChI=1S/C22H21N3O2/c1-14(26)23-22-20(11-7-15-5-3-2-4-6-15)24-21-18-10-9-17(27)13-16(18)8-12-19(21)25-22/h2-6,9-10,13,27H,7-8,11-12H2,1H3,(H,23,25,26)
InChIKeyAKVSSNQBNNXORD-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.69
Rot. Bonds4

About N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide

N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (PubChem CID 136625036) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.

Molecular Properties

Compound NameN-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
PubChem CID136625036
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
SMILESCC(=O)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(O)cc1CC2
InChIInChI=1S/C22H21N3O2/c1-14(26)23-22-20(11-7-15-5-3-2-4-6-15)24-21-18-10-9-17(27)13-16(18)8-12-19(21)25-22/h2-6,9-10,13,27H,7-8,11-12H2,1H3,(H,23,25,26)
InChIKeyAKVSSNQBNNXORD-UHFFFAOYSA-N
XLogP3.69
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The IUPAC name of N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (CID 136625036) is N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.
What is the SMILES notation for N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The canonical SMILES for N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is CC(=O)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(O)cc1CC2.
What is the InChIKey of N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The InChIKey is AKVSSNQBNNXORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14(26)23-22-20(11-7-15-5-3-2-4-6-15)24-21-18-10-9-17(27)13-16(18)8-12-19(21)25-22/h2-6,9-10,13,27H,7-8,11-12H2,1H3,(H,23,25,26).
What are the key properties of N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is sourced from PubChem (CID 136625036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).