3,8-dimethyl-4a,5-dihydroquinoxaline

C10H12N2 — CID 90334667

IUPAC3,8-dimethyl-4a,5-dihydroquinoxaline
SMILESCC1=NC2CC=CC(C)=C2N=C1
InChIInChI=1S/C10H12N2/c1-7-4-3-5-9-10(7)11-6-8(2)12-9/h3-4,6,9H,5H2,1-2H3
InChIKeyDVJDQYFUVBKXDB-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.13
Rot. Bonds

About 3,8-dimethyl-4a,5-dihydroquinoxaline

3,8-dimethyl-4a,5-dihydroquinoxaline (PubChem CID 90334667) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3,8-dimethyl-4a,5-dihydroquinoxaline.

Molecular Properties

Compound Name3,8-dimethyl-4a,5-dihydroquinoxaline
PubChem CID90334667
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3,8-dimethyl-4a,5-dihydroquinoxaline
SMILESCC1=NC2CC=CC(C)=C2N=C1
InChIInChI=1S/C10H12N2/c1-7-4-3-5-9-10(7)11-6-8(2)12-9/h3-4,6,9H,5H2,1-2H3
InChIKeyDVJDQYFUVBKXDB-UHFFFAOYSA-N
XLogP2.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-4a,5-dihydroquinoxaline?
The IUPAC name of 3,8-dimethyl-4a,5-dihydroquinoxaline (CID 90334667) is 3,8-dimethyl-4a,5-dihydroquinoxaline.
What is the SMILES notation for 3,8-dimethyl-4a,5-dihydroquinoxaline?
The canonical SMILES for 3,8-dimethyl-4a,5-dihydroquinoxaline is CC1=NC2CC=CC(C)=C2N=C1.
What is the InChIKey of 3,8-dimethyl-4a,5-dihydroquinoxaline?
The InChIKey is DVJDQYFUVBKXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7-4-3-5-9-10(7)11-6-8(2)12-9/h3-4,6,9H,5H2,1-2H3.
What are the key properties of 3,8-dimethyl-4a,5-dihydroquinoxaline?
3,8-dimethyl-4a,5-dihydroquinoxaline has a molecular weight of 160.22 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-4a,5-dihydroquinoxaline is sourced from PubChem (CID 90334667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).