8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline

C11H15ClN2 — CID 104839702

IUPAC8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline
SMILESCCC1(C)CNc2c(Cl)cccc2N1
InChIInChI=1S/C11H15ClN2/c1-3-11(2)7-13-10-8(12)5-4-6-9(10)14-11/h4-6,13-14H,3,7H2,1-2H3
InChIKeyYQECIDQGUFZQNT-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.35
Rot. Bonds1

About 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline

8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline (PubChem CID 104839702) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline
PubChem CID104839702
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline
SMILESCCC1(C)CNc2c(Cl)cccc2N1
InChIInChI=1S/C11H15ClN2/c1-3-11(2)7-13-10-8(12)5-4-6-9(10)14-11/h4-6,13-14H,3,7H2,1-2H3
InChIKeyYQECIDQGUFZQNT-UHFFFAOYSA-N
XLogP3.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline?
The IUPAC name of 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline (CID 104839702) is 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline.
What is the SMILES notation for 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline?
The canonical SMILES for 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline is CCC1(C)CNc2c(Cl)cccc2N1.
What is the InChIKey of 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline?
The InChIKey is YQECIDQGUFZQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-3-11(2)7-13-10-8(12)5-4-6-9(10)14-11/h4-6,13-14H,3,7H2,1-2H3.
What are the key properties of 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline?
8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline has a molecular weight of 210.71 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline is sourced from PubChem (CID 104839702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).