6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline

C13H20N2O2 — CID 83008630

IUPAC6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline
SMILESCOc1cc2c(cc1OC)NC(C(C)C)CN2
InChIInChI=1S/C13H20N2O2/c1-8(2)11-7-14-9-5-12(16-3)13(17-4)6-10(9)15-11/h5-6,8,11,14-15H,7H2,1-4H3
InChIKeyWADNNEUDEQHSPL-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.57
Rot. Bonds3

About 6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline

6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 83008630) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline
PubChem CID83008630
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline
SMILESCOc1cc2c(cc1OC)NC(C(C)C)CN2
InChIInChI=1S/C13H20N2O2/c1-8(2)11-7-14-9-5-12(16-3)13(17-4)6-10(9)15-11/h5-6,8,11,14-15H,7H2,1-4H3
InChIKeyWADNNEUDEQHSPL-UHFFFAOYSA-N
XLogP2.57
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline (CID 83008630) is 6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline is COc1cc2c(cc1OC)NC(C(C)C)CN2.
What is the InChIKey of 6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is WADNNEUDEQHSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)11-7-14-9-5-12(16-3)13(17-4)6-10(9)15-11/h5-6,8,11,14-15H,7H2,1-4H3.
What are the key properties of 6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline?
6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 236.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 83008630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).