(2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate

C19H18N2O2 — CID 9192017

IUPAC(2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1cccc(C)c1OC(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C19H18N2O2/c1-11-6-5-7-12(2)18(11)23-19(22)15-8-9-16-17(10-15)21-14(4)13(3)20-16/h5-10H,1-4H3
InChIKeyKQFFQCYWULPJPN-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.08
Rot. Bonds2

About (2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate

(2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 9192017) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name(2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID9192017
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1cccc(C)c1OC(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C19H18N2O2/c1-11-6-5-7-12(2)18(11)23-19(22)15-8-9-16-17(10-15)21-14(4)13(3)20-16/h5-10H,1-4H3
InChIKeyKQFFQCYWULPJPN-UHFFFAOYSA-N
XLogP4.08
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 5-(2,3-dimethylquinoxaline-6-carbonyl)oxybenzene-1,3-dicarboxylate
CID 9456451
[1-(2-methylanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 55391717
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656703
(2,6-dimethylphenyl) 3-(dimethylsulfamoyl)benzoate
CID 3946899
methyl phenazine-2-carboxylate
CID 617185
(2,6-dimethylphenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 55374508
2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate
CID 71944013
(2,6-dimethylphenyl) 5-bromopyridine-3-carboxylate
CID 8765718
[2-(2-chlorophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656943
(4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 6459752
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597
1-(2,3-dimethylquinoxalin-6-yl)ethenamine
CID 142028835

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of (2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate (CID 9192017) is (2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for (2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for (2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate is Cc1cccc(C)c1OC(=O)c1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of (2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is KQFFQCYWULPJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-11-6-5-7-12(2)18(11)23-19(22)15-8-9-16-17(10-15)21-14(4)13(3)20-16/h5-10H,1-4H3.
What are the key properties of (2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate?
(2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 9192017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).