propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate

C17H24N2O3 — CID 110832299

IUPACpropan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate
SMILESCC(C)OC(=O)C(C)N1C(=O)C(C(C)C)Nc2ccccc21
InChIInChI=1S/C17H24N2O3/c1-10(2)15-16(20)19(12(5)17(21)22-11(3)4)14-9-7-6-8-13(14)18-15/h6-12,15,18H,1-5H3
InChIKeyUKHFKUJXDXYJPM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.81
Rot. Bonds4

About propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate

propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate (PubChem CID 110832299) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate
PubChem CID110832299
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namepropan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate
SMILESCC(C)OC(=O)C(C)N1C(=O)C(C(C)C)Nc2ccccc21
InChIInChI=1S/C17H24N2O3/c1-10(2)15-16(20)19(12(5)17(21)22-11(3)4)14-9-7-6-8-13(14)18-15/h6-12,15,18H,1-5H3
InChIKeyUKHFKUJXDXYJPM-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate?
The IUPAC name of propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate (CID 110832299) is propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate.
What is the SMILES notation for propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate?
The canonical SMILES for propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate is CC(C)OC(=O)C(C)N1C(=O)C(C(C)C)Nc2ccccc21.
What is the InChIKey of propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate?
The InChIKey is UKHFKUJXDXYJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-10(2)15-16(20)19(12(5)17(21)22-11(3)4)14-9-7-6-8-13(14)18-15/h6-12,15,18H,1-5H3.
What are the key properties of propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate?
propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate has a molecular weight of 304.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate is sourced from PubChem (CID 110832299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).