1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine

C24H30N4O2Si — CID 123608925

IUPAC1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine
SMILES[H]/N=C/CC(=NCOCC[Si](C)(C)C)c1ccc(Oc2ccc3nc(C)cnc3c2)cc1
InChIInChI=1S/C24H30N4O2Si/c1-18-16-26-24-15-21(9-10-23(24)28-18)30-20-7-5-19(6-8-20)22(11-12-25)27-17-29-13-14-31(2,3)4/h5-10,12,15-16,25H,11,13-14,17H2,1-4H3/b25-12+,27-22?
InChIKeyJNAMTIXBJWXIJE-MFMRHQROSA-N
MW434.62 g/mol
LogP5.87
Rot. Bonds10

About 1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine

1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine (PubChem CID 123608925) has the molecular formula C24H30N4O2Si and a molecular weight of 434.62 g/mol. Its IUPAC name is 1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine.

Molecular Properties

Compound Name1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine
PubChem CID123608925
Molecular FormulaC24H30N4O2Si
Molecular Weight434.62 g/mol
Exact Mass434.21
IUPAC Name1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine
SMILES[H]/N=C/CC(=NCOCC[Si](C)(C)C)c1ccc(Oc2ccc3nc(C)cnc3c2)cc1
InChIInChI=1S/C24H30N4O2Si/c1-18-16-26-24-15-21(9-10-23(24)28-18)30-20-7-5-19(6-8-20)22(11-12-25)27-17-29-13-14-31(2,3)4/h5-10,12,15-16,25H,11,13-14,17H2,1-4H3/b25-12+,27-22?
InChIKeyJNAMTIXBJWXIJE-MFMRHQROSA-N
XLogP5.87
TPSA80.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6,7-Dimethoxy-3-phenylquinoxaline
CID 2049
N1-(6-Methoxy-8-quinolinyl)-N5-(1-methylethyl)-1,5-pentanediamine
CID 21558
7-Benzyloxyquinoline
CID 3035604
Benzyl-(6,7-dimethoxy-quinolin-3-yl)-amine
CID 10424517
6-Methoxy-3-methyl-4-phenoxy-8-(piperazin-1-yl)quinoline
CID 59017478
4-(6-(2-fluoroethoxy)quinoxalin-2-yl)-N,N-dimethylaniline
CID 71764366
4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline
CID 71816462
2-(4-Ethoxyphenyl)quinoxaline
CID 765189
2-(4-Butoxyphenyl)quinoxaline
CID 1739003
4-(2-Quinoxalinyl)phenyl propionate
CID 768876
4-(7-(2-fluoroethoxy)quinoxalin-2-yl)-N,N-dimethylaniline
CID 71764197
4-(7-(2-fluoroethoxy)quinoxalin-2-yl)-N-methylaniline
CID 71764199

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine?
The IUPAC name of 1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine (CID 123608925) is 1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine.
What is the SMILES notation for 1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine?
The canonical SMILES for 1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine is [H]/N=C/CC(=NCOCC[Si](C)(C)C)c1ccc(Oc2ccc3nc(C)cnc3c2)cc1.
What is the InChIKey of 1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine?
The InChIKey is JNAMTIXBJWXIJE-MFMRHQROSA-N. The full InChI is InChI=1S/C24H30N4O2Si/c1-18-16-26-24-15-21(9-10-23(24)28-18)30-20-7-5-19(6-8-20)22(11-12-25)27-17-29-13-14-31(2,3)4/h5-10,12,15-16,25H,11,13-14,17H2,1-4H3/b25-12+,27-22?.
What are the key properties of 1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine?
1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine has a molecular weight of 434.62 g/mol, XLogP of 5.87, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine is sourced from PubChem (CID 123608925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).