5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one

C23H23N3O5 — CID 24879465

IUPAC5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cc(Nc2cncc(Oc3cccc4c3CCCC4=O)n2)cc(OC)c1OC
InChIInChI=1S/C23H23N3O5/c1-28-19-10-14(11-20(29-2)23(19)30-3)25-21-12-24-13-22(26-21)31-18-9-5-6-15-16(18)7-4-8-17(15)27/h5-6,9-13H,4,7-8H2,1-3H3,(H,25,26)
InChIKeyZQLYAHHLGLMANR-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.56
Rot. Bonds7

About 5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one

5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 24879465) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID24879465
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cc(Nc2cncc(Oc3cccc4c3CCCC4=O)n2)cc(OC)c1OC
InChIInChI=1S/C23H23N3O5/c1-28-19-10-14(11-20(29-2)23(19)30-3)25-21-12-24-13-22(26-21)31-18-9-5-6-15-16(18)7-4-8-17(15)27/h5-6,9-13H,4,7-8H2,1-3H3,(H,25,26)
InChIKeyZQLYAHHLGLMANR-UHFFFAOYSA-N
XLogP4.56
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-({6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}oxy)naphthalen-1-yl]acetamide
CID 24879265
N-{4-[6-(3,4,5-trimethoxyphenylamino)pyrazin-2-yloxy]naphthalen-1-yl}acetamide
CID 24879328
6-(naphthalen-1-yloxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879205
6-(isoquinolin-5-yloxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879209
6-(2-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879527
6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879207
6-({6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}oxy)-1,2,3,4-tetrahydronaphthalen-1-one
CID 24879260
5-({6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}oxy)-2,3-dihydro-1H-inden-1-one
CID 24879261
2-(3,4,5-Trimethoxyphenylamino)-6-(naphthalen-2-yloxy)pyrazine
CID 24879329
4-({6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}oxy)-2,3-dihydro-1H-inden-1-one
CID 24879466
6-({6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}oxy)-2,3-dihydro-1H-inden-1-one
CID 24879467
1-[3-({6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}oxy)phenyl]ethan-1-one
CID 24879530

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one (CID 24879465) is 5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one is COc1cc(Nc2cncc(Oc3cccc4c3CCCC4=O)n2)cc(OC)c1OC.
What is the InChIKey of 5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ZQLYAHHLGLMANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-28-19-10-14(11-20(29-2)23(19)30-3)25-21-12-24-13-22(26-21)31-18-9-5-6-15-16(18)7-4-8-17(15)27/h5-6,9-13H,4,7-8H2,1-3H3,(H,25,26).
What are the key properties of 5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one?
5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 421.45 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 24879465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).