4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline

C12H17ClN2 — CID 115472217

IUPAC4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline
SMILESCCC(C)N1CCNc2ccc(Cl)cc21
InChIInChI=1S/C12H17ClN2/c1-3-9(2)15-7-6-14-11-5-4-10(13)8-12(11)15/h4-5,8-9,14H,3,6-7H2,1-2H3
InChIKeyYPHNJPYZQJGDBW-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.37
Rot. Bonds2

About 4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline

4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline (PubChem CID 115472217) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline
PubChem CID115472217
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline
SMILESCCC(C)N1CCNc2ccc(Cl)cc21
InChIInChI=1S/C12H17ClN2/c1-3-9(2)15-7-6-14-11-5-4-10(13)8-12(11)15/h4-5,8-9,14H,3,6-7H2,1-2H3
InChIKeyYPHNJPYZQJGDBW-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline (CID 115472217) is 4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline is CCC(C)N1CCNc2ccc(Cl)cc21.
What is the InChIKey of 4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline?
The InChIKey is YPHNJPYZQJGDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-3-9(2)15-7-6-14-11-5-4-10(13)8-12(11)15/h4-5,8-9,14H,3,6-7H2,1-2H3.
What are the key properties of 4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline?
4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline has a molecular weight of 224.73 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115472217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).