2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate

C16H20N2O3 — CID 71944013

IUPAC2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCCOC(C)C)cc2nc1C
InChIInChI=1S/C16H20N2O3/c1-10(2)20-7-8-21-16(19)13-5-6-14-15(9-13)18-12(4)11(3)17-14/h5-6,9-10H,7-8H2,1-4H3
InChIKeyBBLWUGSJBZMPRJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.83
Rot. Bonds5

About 2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate

2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 71944013) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID71944013
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCCOC(C)C)cc2nc1C
InChIInChI=1S/C16H20N2O3/c1-10(2)20-7-8-21-16(19)13-5-6-14-15(9-13)18-12(4)11(3)17-14/h5-6,9-10H,7-8H2,1-4H3
InChIKeyBBLWUGSJBZMPRJ-UHFFFAOYSA-N
XLogP2.83
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 65348925
2-propan-2-yloxyethyl 4-hydroxybenzoate
CID 71749586
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7717059
(4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 6459752
2-propan-2-yloxyethyl 3-amino-4-methoxybenzoate
CID 61308324
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656703
[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8628410
2-propan-2-yloxyethyl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 103999601
2-propan-2-yloxyethyl 3-sulfamoylbenzoate
CID 60643819
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 18199378
2-propan-2-yloxyethyl 4-bromo-3-chlorosulfonylbenzoate
CID 65375458
[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 55391734

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of 2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate (CID 71944013) is 2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for 2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for 2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate is Cc1nc2ccc(C(=O)OCCOC(C)C)cc2nc1C.
What is the InChIKey of 2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is BBLWUGSJBZMPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)20-7-8-21-16(19)13-5-6-14-15(9-13)18-12(4)11(3)17-14/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate?
2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 71944013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).