tert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate

C18H24N2O4 — CID 86628420

IUPACtert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate
SMILESCOc1ccc2nc(C(C)C)c(=O)n(CC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C18H24N2O4/c1-11(2)16-17(22)20(10-15(21)24-18(3,4)5)14-9-12(23-6)7-8-13(14)19-16/h7-9,11H,10H2,1-6H3
InChIKeyLQCWRKCKOCXFJD-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.87
Rot. Bonds4

About tert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate

tert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate (PubChem CID 86628420) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate
PubChem CID86628420
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nametert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate
SMILESCOc1ccc2nc(C(C)C)c(=O)n(CC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C18H24N2O4/c1-11(2)16-17(22)20(10-15(21)24-18(3,4)5)14-9-12(23-6)7-8-13(14)19-16/h7-9,11H,10H2,1-6H3
InChIKeyLQCWRKCKOCXFJD-UHFFFAOYSA-N
XLogP2.87
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide
CID 68997311
2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide
CID 68999731
2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
CID 84810462
tert-butyl 2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]acetate
CID 91046876
ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate
CID 70648213
3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide
CID 106278480
tert-butyl 2-[5-[3-(4-methoxyphenyl)propylamino]-6-oxo-2-phenylpyrimidin-1-yl]acetate
CID 170789760
N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide
CID 68999797
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 42898029
tert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate
CID 22178631
2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide
CID 155143022
2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide
CID 24963331

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate?
The IUPAC name of tert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate (CID 86628420) is tert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate is COc1ccc2nc(C(C)C)c(=O)n(CC(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate?
The InChIKey is LQCWRKCKOCXFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11(2)16-17(22)20(10-15(21)24-18(3,4)5)14-9-12(23-6)7-8-13(14)19-16/h7-9,11H,10H2,1-6H3.
What are the key properties of tert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate?
tert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate has a molecular weight of 332.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate is sourced from PubChem (CID 86628420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).