methyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate

C23H24N2O6 — CID 36925890

IUPACmethyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c(OC)c1
InChIInChI=1S/C23H24N2O6/c1-23(2)22(28)24-16-7-5-6-8-17(16)25(23)20(26)14-31-18-11-9-15(13-19(18)29-3)10-12-21(27)30-4/h5-13H,14H2,1-4H3,(H,24,28)/b12-10+
InChIKeyUWTVLQAXXYYSHJ-ZRDIBKRKSA-N
MW424.45 g/mol
LogP3.02
Rot. Bonds6

About methyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate

methyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate (PubChem CID 36925890) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is methyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate
PubChem CID36925890
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Namemethyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c(OC)c1
InChIInChI=1S/C23H24N2O6/c1-23(2)22(28)24-16-7-5-6-8-17(16)25(23)20(26)14-31-18-11-9-15(13-19(18)29-3)10-12-21(27)30-4/h5-13H,14H2,1-4H3,(H,24,28)/b12-10+
InChIKeyUWTVLQAXXYYSHJ-ZRDIBKRKSA-N
XLogP3.02
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 6213323
4-[2-(2-ethoxyphenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 7840966
4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 7167738
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 16522438
methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 16764845
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2649907
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 6213330
methyl (E)-3-[3-methoxy-4-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]prop-2-enoate
CID 36928018
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 36828005
4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 8579883
13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one
CID 75390682
methyl (E)-3-[4-(4-bromobutoxy)-3-methoxyphenyl]prop-2-enoate
CID 168878232

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate (CID 36925890) is methyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate is COC(=O)/C=C/c1ccc(OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c(OC)c1.
What is the InChIKey of methyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate?
The InChIKey is UWTVLQAXXYYSHJ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-23(2)22(28)24-16-7-5-6-8-17(16)25(23)20(26)14-31-18-11-9-15(13-19(18)29-3)10-12-21(27)30-4/h5-13H,14H2,1-4H3,(H,24,28)/b12-10+.
What are the key properties of methyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate?
methyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate has a molecular weight of 424.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate is sourced from PubChem (CID 36925890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).