methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate

C18H18N2O3 — CID 86593353

IUPACmethyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C(=O)Nc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-23-17(21)11-16-18(22)19-14-9-5-6-10-15(14)20(16)12-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,19,22)/t16-/m1/s1
InChIKeyNXOXNFJTLCFSGN-MRXNPFEDSA-N
MW310.35 g/mol
LogP2.58
Rot. Bonds4

About methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate

methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate (PubChem CID 86593353) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate
PubChem CID86593353
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C(=O)Nc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-23-17(21)11-16-18(22)19-14-9-5-6-10-15(14)20(16)12-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,19,22)/t16-/m1/s1
InChIKeyNXOXNFJTLCFSGN-MRXNPFEDSA-N
XLogP2.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate (CID 86593353) is methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate is COC(=O)C[C@@H]1C(=O)Nc2ccccc2N1Cc1ccccc1.
What is the InChIKey of methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate?
The InChIKey is NXOXNFJTLCFSGN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-17(21)11-16-18(22)19-14-9-5-6-10-15(14)20(16)12-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,19,22)/t16-/m1/s1.
What are the key properties of methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate?
methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate has a molecular weight of 310.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate is sourced from PubChem (CID 86593353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).