dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate

C21H20N2O7 — CID 8740534

IUPACdimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc(C(=O)OC)c1
InChIInChI=1S/C21H20N2O7/c1-12(19(25)23-11-18(24)22-16-6-4-5-7-17(16)23)30-15-9-13(20(26)28-2)8-14(10-15)21(27)29-3/h4-10,12H,11H2,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeyQRXVJYZUDWKIBY-GFCCVEGCSA-N
MW412.40 g/mol
LogP2.01
Rot. Bonds5

About dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate

dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate (PubChem CID 8740534) has the molecular formula C21H20N2O7 and a molecular weight of 412.40 g/mol. Its IUPAC name is dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate
PubChem CID8740534
Molecular FormulaC21H20N2O7
Molecular Weight412.40 g/mol
Exact Mass412.13
IUPAC Namedimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc(C(=O)OC)c1
InChIInChI=1S/C21H20N2O7/c1-12(19(25)23-11-18(24)22-16-6-4-5-7-17(16)23)30-15-9-13(20(26)28-2)8-14(10-15)21(27)29-3/h4-10,12H,11H2,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeyQRXVJYZUDWKIBY-GFCCVEGCSA-N
XLogP2.01
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8578040
4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 43818910
4-[(2S)-2-(2-bromo-4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8958012
4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 94434788
4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8728680
4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8886531
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387141
4-[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 100511695
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate
CID 8958658
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 4-propoxybenzoate
CID 8736332
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 9383608

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate (CID 8740534) is dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate is COC(=O)c1cc(O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate?
The InChIKey is QRXVJYZUDWKIBY-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H20N2O7/c1-12(19(25)23-11-18(24)22-16-6-4-5-7-17(16)23)30-15-9-13(20(26)28-2)8-14(10-15)21(27)29-3/h4-10,12H,11H2,1-3H3,(H,22,24)/t12-/m1/s1.
What are the key properties of dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate?
dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate has a molecular weight of 412.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 8740534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).