7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline

C18H14N2S — CID 145185037

IUPAC7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline
SMILESCc1cc(-c2ccc3scc(C)c3c2)c2nccnc2c1
InChIInChI=1S/C18H14N2S/c1-11-7-15(18-16(8-11)19-5-6-20-18)13-3-4-17-14(9-13)12(2)10-21-17/h3-10H,1-2H3
InChIKeyZYRVHQDNCKBUGI-UHFFFAOYSA-N
MW290.39 g/mol
LogP5.13
Rot. Bonds1

About 7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline

7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline (PubChem CID 145185037) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline.

Molecular Properties

Compound Name7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline
PubChem CID145185037
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline
SMILESCc1cc(-c2ccc3scc(C)c3c2)c2nccnc2c1
InChIInChI=1S/C18H14N2S/c1-11-7-15(18-16(8-11)19-5-6-20-18)13-3-4-17-14(9-13)12(2)10-21-17/h3-10H,1-2H3
InChIKeyZYRVHQDNCKBUGI-UHFFFAOYSA-N
XLogP5.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline?
The IUPAC name of 7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline (CID 145185037) is 7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline.
What is the SMILES notation for 7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline?
The canonical SMILES for 7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline is Cc1cc(-c2ccc3scc(C)c3c2)c2nccnc2c1.
What is the InChIKey of 7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline?
The InChIKey is ZYRVHQDNCKBUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S/c1-11-7-15(18-16(8-11)19-5-6-20-18)13-3-4-17-14(9-13)12(2)10-21-17/h3-10H,1-2H3.
What are the key properties of 7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline?
7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline has a molecular weight of 290.39 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(3-methyl-1-benzothiophen-5-yl)quinoxaline is sourced from PubChem (CID 145185037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).