[2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate

C15H18N2O2 — CID 70251042

IUPAC[2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate
SMILESCC(=O)Oc1ccc2nc(CC(C)(C)C)cnc2c1
InChIInChI=1S/C15H18N2O2/c1-10(18)19-12-5-6-13-14(7-12)16-9-11(17-13)8-15(2,3)4/h5-7,9H,8H2,1-4H3
InChIKeyOJBRIODYVVEHBZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.14
Rot. Bonds2

About [2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate

[2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate (PubChem CID 70251042) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate.

Molecular Properties

Compound Name[2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate
PubChem CID70251042
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate
SMILESCC(=O)Oc1ccc2nc(CC(C)(C)C)cnc2c1
InChIInChI=1S/C15H18N2O2/c1-10(18)19-12-5-6-13-14(7-12)16-9-11(17-13)8-15(2,3)4/h5-7,9H,8H2,1-4H3
InChIKeyOJBRIODYVVEHBZ-UHFFFAOYSA-N
XLogP3.14
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

quinoxalino[2,3-a]phenazin-3-yl acetate
CID 15249326
(2-methylquinolin-7-yl) acetate
CID 119085937
(2-chloroquinolin-7-yl) acetate
CID 174716501
(9-acetyloxyphenazin-2-yl) acetate
CID 611477
N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide
CID 70251047
6-ethoxy-2-(nitromethyl)quinoxaline
CID 119090431
(2,4-dichloroquinazolin-6-yl) acetate
CID 101166088
(4-methylquinazolin-6-yl) acetate
CID 163492929
[3-[4-(quinolin-2-ylmethoxy)benzoyl]phenyl] acetate
CID 57179399
[2-(4-aminophenyl)-1,3-benzothiazol-6-yl] acetate
CID 58960450
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
ethyl 6-methoxyquinoxaline-2-carboxylate
CID 22917221

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate?
The IUPAC name of [2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate (CID 70251042) is [2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate.
What is the SMILES notation for [2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate?
The canonical SMILES for [2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate is CC(=O)Oc1ccc2nc(CC(C)(C)C)cnc2c1.
What is the InChIKey of [2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate?
The InChIKey is OJBRIODYVVEHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(18)19-12-5-6-13-14(7-12)16-9-11(17-13)8-15(2,3)4/h5-7,9H,8H2,1-4H3.
What are the key properties of [2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate?
[2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate has a molecular weight of 258.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate is sourced from PubChem (CID 70251042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).