2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline

C13H11ClN2O — CID 58547918

IUPAC2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline
SMILESClc1nc2ccccc2nc1C1=CCOCC1
InChIInChI=1S/C13H11ClN2O/c14-13-12(9-5-7-17-8-6-9)15-10-3-1-2-4-11(10)16-13/h1-5H,6-8H2
InChIKeySNRUEPYWWZWVLX-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.09
Rot. Bonds1

About 2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline

2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline (PubChem CID 58547918) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline.

Molecular Properties

Compound Name2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline
PubChem CID58547918
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline
SMILESClc1nc2ccccc2nc1C1=CCOCC1
InChIInChI=1S/C13H11ClN2O/c14-13-12(9-5-7-17-8-6-9)15-10-3-1-2-4-11(10)16-13/h1-5H,6-8H2
InChIKeySNRUEPYWWZWVLX-UHFFFAOYSA-N
XLogP3.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline?
The IUPAC name of 2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline (CID 58547918) is 2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline.
What is the SMILES notation for 2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline?
The canonical SMILES for 2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline is Clc1nc2ccccc2nc1C1=CCOCC1.
What is the InChIKey of 2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline?
The InChIKey is SNRUEPYWWZWVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-13-12(9-5-7-17-8-6-9)15-10-3-1-2-4-11(10)16-13/h1-5H,6-8H2.
What are the key properties of 2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline?
2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline has a molecular weight of 246.70 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline is sourced from PubChem (CID 58547918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).