2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline

C17H16N2 — CID 163875198

IUPAC2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline
SMILES[2H]c1c([2H])c([2H])c(-c2nc3ccccc3nc2C(C)C)c([2H])c1[2H]
InChIInChI=1S/C17H16N2/c1-12(2)16-17(13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)18-16/h3-12H,1-2H3/i3D,4D,5D,8D,9D
InChIKeyJSYWPTWYKLZAOS-YQYLVRRTSA-N
MW253.36 g/mol
LogP4.42
Rot. Bonds2

About 2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline

2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline (PubChem CID 163875198) has the molecular formula C17H16N2 and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline
PubChem CID163875198
Molecular FormulaC17H16N2
Molecular Weight253.36 g/mol
Exact Mass253.16
IUPAC Name2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline
SMILES[2H]c1c([2H])c([2H])c(-c2nc3ccccc3nc2C(C)C)c([2H])c1[2H]
InChIInChI=1S/C17H16N2/c1-12(2)16-17(13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)18-16/h3-12H,1-2H3/i3D,4D,5D,8D,9D
InChIKeyJSYWPTWYKLZAOS-YQYLVRRTSA-N
XLogP4.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline?
The IUPAC name of 2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline (CID 163875198) is 2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline.
What is the SMILES notation for 2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline?
The canonical SMILES for 2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline is [2H]c1c([2H])c([2H])c(-c2nc3ccccc3nc2C(C)C)c([2H])c1[2H].
What is the InChIKey of 2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline?
The InChIKey is JSYWPTWYKLZAOS-YQYLVRRTSA-N. The full InChI is InChI=1S/C17H16N2/c1-12(2)16-17(13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)18-16/h3-12H,1-2H3/i3D,4D,5D,8D,9D.
What are the key properties of 2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline?
2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline has a molecular weight of 253.36 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentadeuteriophenyl)-3-propan-2-ylquinoxaline is sourced from PubChem (CID 163875198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).