5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline

C23H23N3O2 — CID 52943778

IUPAC5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline
SMILESCOc1cccc2nc(OCCN3CCCC3)c(C#Cc3ccccc3)nc12
InChIInChI=1S/C23H23N3O2/c1-27-21-11-7-10-19-22(21)24-20(13-12-18-8-3-2-4-9-18)23(25-19)28-17-16-26-14-5-6-15-26/h2-4,7-11H,5-6,14-17H2,1H3
InChIKeyBZWWADKIEYHUBA-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.51
Rot. Bonds5

About 5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline

5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline (PubChem CID 52943778) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline.

Molecular Properties

Compound Name5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline
PubChem CID52943778
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline
SMILESCOc1cccc2nc(OCCN3CCCC3)c(C#Cc3ccccc3)nc12
InChIInChI=1S/C23H23N3O2/c1-27-21-11-7-10-19-22(21)24-20(13-12-18-8-3-2-4-9-18)23(25-19)28-17-16-26-14-5-6-15-26/h2-4,7-11H,5-6,14-17H2,1H3
InChIKeyBZWWADKIEYHUBA-UHFFFAOYSA-N
XLogP3.51
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,6-Dimethoxyphenazine
CID 617641
1-Methoxyphenazine
CID 76137
5-[2-(4-Benzylpiperazin-1-yl)ethoxy]-2-methylquinoline
CID 24865538
1-methyl-6-(phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 53320114
1-Methoxy-7,8-dimethylphenazine
CID 372186
2-Methyl-3-[(4-methylphenoxy)methyl]quinoxaline
CID 1505942
5-[2-[4-[(4-Methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline
CID 24865539
2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine
CID 52941408
6-Methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline
CID 52944384
N,N-diethyl-2-[8-methoxy-2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine
CID 145960310
2-Phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline
CID 118726432
4-[2-[4-(3-Phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine
CID 118726433

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline?
The IUPAC name of 5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline (CID 52943778) is 5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline.
What is the SMILES notation for 5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline?
The canonical SMILES for 5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline is COc1cccc2nc(OCCN3CCCC3)c(C#Cc3ccccc3)nc12.
What is the InChIKey of 5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline?
The InChIKey is BZWWADKIEYHUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-27-21-11-7-10-19-22(21)24-20(13-12-18-8-3-2-4-9-18)23(25-19)28-17-16-26-14-5-6-15-26/h2-4,7-11H,5-6,14-17H2,1H3.
What are the key properties of 5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline?
5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline has a molecular weight of 373.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)quinoxaline is sourced from PubChem (CID 52943778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).