6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

C22H20N4O4 — CID 24879209

IUPAC6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(Oc3cccc4cnccc34)n2)cc(OC)c1OC
InChIInChI=1S/C22H20N4O4/c1-27-18-9-15(10-19(28-2)22(18)29-3)25-20-12-24-13-21(26-20)30-17-6-4-5-14-11-23-8-7-16(14)17/h4-13H,1-3H3,(H,25,26)
InChIKeyIZPBCBBLTMSWLG-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.59
Rot. Bonds7

About 6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (PubChem CID 24879209) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
PubChem CID24879209
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(Oc3cccc4cnccc34)n2)cc(OC)c1OC
InChIInChI=1S/C22H20N4O4/c1-27-18-9-15(10-19(28-2)22(18)29-3)25-20-12-24-13-21(26-20)30-17-6-4-5-14-11-23-8-7-16(14)17/h4-13H,1-3H3,(H,25,26)
InChIKeyIZPBCBBLTMSWLG-UHFFFAOYSA-N
XLogP4.59
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(5,6-Dimethyl-2,2'-Bipyridin-3-Yl)oxy]-N-(3,4,5-Trimethoxyphenyl)pyridin-2-Amine
CID 44201376
4-Pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521016
4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521017
4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521018
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
4-(6-Methyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3,4,5-trimethoxy-phenyl)pyridin-2-amine
CID 44521014
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521015
3-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}phenol
CID 11595532
6-(pyridin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879140
6-(naphthalen-1-yloxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879205
6-(quinolin-5-yloxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879208

Frequently Asked Questions

What is the IUPAC name of 6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (CID 24879209) is 6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is COc1cc(Nc2cncc(Oc3cccc4cnccc34)n2)cc(OC)c1OC.
What is the InChIKey of 6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The InChIKey is IZPBCBBLTMSWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-27-18-9-15(10-19(28-2)22(18)29-3)25-20-12-24-13-21(26-20)30-17-6-4-5-14-11-23-8-7-16(14)17/h4-13H,1-3H3,(H,25,26).
What are the key properties of 6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine has a molecular weight of 404.43 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isoquinolin-5-yloxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 24879209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).