6-(6-propan-2-yl-3-pyridinyl)quinoxaline

C16H15N3 — CID 174955208

IUPAC6-(6-propan-2-yl-3-pyridinyl)quinoxaline
SMILESCC(C)c1ccc(-c2ccc3nccnc3c2)cn1
InChIInChI=1S/C16H15N3/c1-11(2)14-5-4-13(10-19-14)12-3-6-15-16(9-12)18-8-7-17-15/h3-11H,1-2H3
InChIKeyDVVARADKEBIMQT-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.82
Rot. Bonds2

About 6-(6-propan-2-yl-3-pyridinyl)quinoxaline

6-(6-propan-2-yl-3-pyridinyl)quinoxaline (PubChem CID 174955208) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-(6-propan-2-yl-3-pyridinyl)quinoxaline.

Molecular Properties

Compound Name6-(6-propan-2-yl-3-pyridinyl)quinoxaline
PubChem CID174955208
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name6-(6-propan-2-yl-3-pyridinyl)quinoxaline
SMILESCC(C)c1ccc(-c2ccc3nccnc3c2)cn1
InChIInChI=1S/C16H15N3/c1-11(2)14-5-4-13(10-19-14)12-3-6-15-16(9-12)18-8-7-17-15/h3-11H,1-2H3
InChIKeyDVVARADKEBIMQT-UHFFFAOYSA-N
XLogP3.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(6-propan-2-yl-3-pyridinyl)quinoxaline?
The IUPAC name of 6-(6-propan-2-yl-3-pyridinyl)quinoxaline (CID 174955208) is 6-(6-propan-2-yl-3-pyridinyl)quinoxaline.
What is the SMILES notation for 6-(6-propan-2-yl-3-pyridinyl)quinoxaline?
The canonical SMILES for 6-(6-propan-2-yl-3-pyridinyl)quinoxaline is CC(C)c1ccc(-c2ccc3nccnc3c2)cn1.
What is the InChIKey of 6-(6-propan-2-yl-3-pyridinyl)quinoxaline?
The InChIKey is DVVARADKEBIMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11(2)14-5-4-13(10-19-14)12-3-6-15-16(9-12)18-8-7-17-15/h3-11H,1-2H3.
What are the key properties of 6-(6-propan-2-yl-3-pyridinyl)quinoxaline?
6-(6-propan-2-yl-3-pyridinyl)quinoxaline has a molecular weight of 249.32 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-propan-2-yl-3-pyridinyl)quinoxaline is sourced from PubChem (CID 174955208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).