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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Related Compounds

3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 71173465
6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid
CID 69495401
methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate
CID 146250811
4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide
CID 73300935
N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide
CID 16661310
methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
CID 34534079
(3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 141170214
3-[[(2R)-3-oxo-2-(thiophen-2-ylmethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzoic acid
CID 58916438
N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
CID 73300939
methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate
CID 10989080
(2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 10739812
methyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate
CID 43011898

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).