2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine

C19H12N2O2 — CID 170112950

IUPAC2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine
SMILESCc1ccc2c(oc3oc4ccccc4c32)c1-c1cnccn1
InChIInChI=1S/C19H12N2O2/c1-11-6-7-13-17-12-4-2-3-5-15(12)22-19(17)23-18(13)16(11)14-10-20-8-9-21-14/h2-10H,1H3
InChIKeyUWXIPAVXOJRRJE-UHFFFAOYSA-N
MW300.32 g/mol
LogP5.10
Rot. Bonds1

About 2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine

2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine (PubChem CID 170112950) has the molecular formula C19H12N2O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine.

Molecular Properties

Compound Name2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine
PubChem CID170112950
Molecular FormulaC19H12N2O2
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Name2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine
SMILESCc1ccc2c(oc3oc4ccccc4c32)c1-c1cnccn1
InChIInChI=1S/C19H12N2O2/c1-11-6-7-13-17-12-4-2-3-5-15(12)22-19(17)23-18(13)16(11)14-10-20-8-9-21-14/h2-10H,1H3
InChIKeyUWXIPAVXOJRRJE-UHFFFAOYSA-N
XLogP5.10
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.32
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyldibenzofuran-4-yl)pyridine
CID 118074682
1,4-dimethyl-2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyridin-1-ium
CID 158153176
2-(2,6-dimethylphenyl)pyrazine
CID 91666747
2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine
CID 170112879
4-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 171576824
1-methyl-2-(18-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)-3-[4-(4-pyrazin-2-ylphenyl)phenyl]benzimidazol-1-ium
CID 167388191
5-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 156686733
1-methylfuro[2,3-b][1]benzofuran-2-amine
CID 130322179
1-methyl-2-(2-methyl-[1]benzofuro[3,2-b][1]benzofuran-1-yl)pyrimidin-1-ium
CID 140828050
1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium
CID 164798219
1,3-dimethyl-2-(6-methyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)imidazol-1-ium
CID 176787528
2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
CID 121342988

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine?
The IUPAC name of 2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine (CID 170112950) is 2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine.
What is the SMILES notation for 2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine?
The canonical SMILES for 2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine is Cc1ccc2c(oc3oc4ccccc4c32)c1-c1cnccn1.
What is the InChIKey of 2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine?
The InChIKey is UWXIPAVXOJRRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2/c1-11-6-7-13-17-12-4-2-3-5-15(12)22-19(17)23-18(13)16(11)14-10-20-8-9-21-14/h2-10H,1H3.
What are the key properties of 2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine?
2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine has a molecular weight of 300.32 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine is sourced from PubChem (CID 170112950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).