2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline

C24H30N2O — CID 155427711

IUPAC2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline
SMILESCC(C)(C)c1cccc2c1NC(CC(C)(C)c1ccc3occc3c1)CN2
InChIInChI=1S/C24H30N2O/c1-23(2,3)19-7-6-8-20-22(19)26-18(15-25-20)14-24(4,5)17-9-10-21-16(13-17)11-12-27-21/h6-13,18,25-26H,14-15H2,1-5H3
InChIKeyJWURVCBIIVOCRP-UHFFFAOYSA-N
MW362.52 g/mol
LogP6.30
Rot. Bonds3

About 2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline

2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 155427711) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline
PubChem CID155427711
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline
SMILESCC(C)(C)c1cccc2c1NC(CC(C)(C)c1ccc3occc3c1)CN2
InChIInChI=1S/C24H30N2O/c1-23(2,3)19-7-6-8-20-22(19)26-18(15-25-20)14-24(4,5)17-9-10-21-16(13-17)11-12-27-21/h6-13,18,25-26H,14-15H2,1-5H3
InChIKeyJWURVCBIIVOCRP-UHFFFAOYSA-N
XLogP6.30
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline (CID 155427711) is 2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline is CC(C)(C)c1cccc2c1NC(CC(C)(C)c1ccc3occc3c1)CN2.
What is the InChIKey of 2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is JWURVCBIIVOCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-23(2,3)19-7-6-8-20-22(19)26-18(15-25-20)14-24(4,5)17-9-10-21-16(13-17)11-12-27-21/h6-13,18,25-26H,14-15H2,1-5H3.
What are the key properties of 2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline?
2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 362.52 g/mol, XLogP of 6.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 155427711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).