methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate

C14H16N2O3 — CID 79629951

IUPACmethyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate
SMILESCOC(=O)C(C)(C)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C14H16N2O3/c1-14(2,13(18)19-3)9-16-11-7-5-4-6-10(11)15-8-12(16)17/h4-8H,9H2,1-3H3
InChIKeyQWFFLZOCTBJZQU-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.60
Rot. Bonds3

About methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate

methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate (PubChem CID 79629951) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate
PubChem CID79629951
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate
SMILESCOC(=O)C(C)(C)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C14H16N2O3/c1-14(2,13(18)19-3)9-16-11-7-5-4-6-10(11)15-8-12(16)17/h4-8H,9H2,1-3H3
InChIKeyQWFFLZOCTBJZQU-UHFFFAOYSA-N
XLogP1.60
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate (CID 79629951) is methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate is COC(=O)C(C)(C)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate?
The InChIKey is QWFFLZOCTBJZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(2,13(18)19-3)9-16-11-7-5-4-6-10(11)15-8-12(16)17/h4-8H,9H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate?
methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate has a molecular weight of 260.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate is sourced from PubChem (CID 79629951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).