6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline

C20H18N2S — CID 166986066

IUPAC6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline
SMILESCC(C)c1cnc2cc(Cc3cc4ccccc4s3)ccc2n1
InChIInChI=1S/C20H18N2S/c1-13(2)19-12-21-18-10-14(7-8-17(18)22-19)9-16-11-15-5-3-4-6-20(15)23-16/h3-8,10-13H,9H2,1-2H3
InChIKeyWTHIEZBVQDZYKU-UHFFFAOYSA-N
MW318.44 g/mol
LogP5.56
Rot. Bonds3

About 6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline

6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline (PubChem CID 166986066) has the molecular formula C20H18N2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline.

Molecular Properties

Compound Name6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline
PubChem CID166986066
Molecular FormulaC20H18N2S
Molecular Weight318.44 g/mol
Exact Mass318.12
IUPAC Name6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline
SMILESCC(C)c1cnc2cc(Cc3cc4ccccc4s3)ccc2n1
InChIInChI=1S/C20H18N2S/c1-13(2)19-12-21-18-10-14(7-8-17(18)22-19)9-16-11-15-5-3-4-6-20(15)23-16/h3-8,10-13H,9H2,1-2H3
InChIKeyWTHIEZBVQDZYKU-UHFFFAOYSA-N
XLogP5.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.44
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline?
The IUPAC name of 6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline (CID 166986066) is 6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline.
What is the SMILES notation for 6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline?
The canonical SMILES for 6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline is CC(C)c1cnc2cc(Cc3cc4ccccc4s3)ccc2n1.
What is the InChIKey of 6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline?
The InChIKey is WTHIEZBVQDZYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2S/c1-13(2)19-12-21-18-10-14(7-8-17(18)22-19)9-16-11-15-5-3-4-6-20(15)23-16/h3-8,10-13H,9H2,1-2H3.
What are the key properties of 6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline?
6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline has a molecular weight of 318.44 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-2-ylmethyl)-2-propan-2-ylquinoxaline is sourced from PubChem (CID 166986066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).