ethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate

C24H26N4O6 — CID 51032668

IUPACethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate
SMILESCCOC(=O)CN(/N=C/c1ccccc1OC)c1nc2ccccc2n(CC(=O)OCC)c1=O
InChIInChI=1S/C24H26N4O6/c1-4-33-21(29)15-27-19-12-8-7-11-18(19)26-23(24(27)31)28(16-22(30)34-5-2)25-14-17-10-6-9-13-20(17)32-3/h6-14H,4-5,15-16H2,1-3H3/b25-14+
InChIKeyPTDUWFKSZUIBPX-AFUMVMLFSA-N
MW466.49 g/mol
LogP2.37
Rot. Bonds10

About ethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate

ethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate (PubChem CID 51032668) has the molecular formula C24H26N4O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is ethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate
PubChem CID51032668
Molecular FormulaC24H26N4O6
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC Nameethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate
SMILESCCOC(=O)CN(/N=C/c1ccccc1OC)c1nc2ccccc2n(CC(=O)OCC)c1=O
InChIInChI=1S/C24H26N4O6/c1-4-33-21(29)15-27-19-12-8-7-11-18(19)26-23(24(27)31)28(16-22(30)34-5-2)25-14-17-10-6-9-13-20(17)32-3/h6-14H,4-5,15-16H2,1-3H3/b25-14+
InChIKeyPTDUWFKSZUIBPX-AFUMVMLFSA-N
XLogP2.37
TPSA112.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

N'-(2-methoxybenzylidene)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoacetohydrazide
CID 6876732
ethyl 2-[3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate
CID 73351003
3-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-1-prop-2-enylquinoxalin-2-one
CID 73353961
3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 51032535
Benzaldehyde, 2-methoxy-, 2-[3,4-dihydro-3-oxo-4-(2-propen-1-yl)-2-quinoxalinyl]hydrazone, [C(E)]-
CID 51032536
ethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate
CID 51032665
3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one
CID 51032667
Ethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate
CID 162399247
N-[(2-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 1812286
1-[(4-Methoxyphenyl)methyl]-3-morpholin-4-ylquinoxalin-2-one
CID 141409583
N-(2-methoxyphenyl)-2-(6-methylidene-3-phenyl-1,2,4-triazin-1-yl)acetamide
CID 142822117
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 5583267

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate (CID 51032668) is ethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate is CCOC(=O)CN(/N=C/c1ccccc1OC)c1nc2ccccc2n(CC(=O)OCC)c1=O.
What is the InChIKey of ethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate?
The InChIKey is PTDUWFKSZUIBPX-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H26N4O6/c1-4-33-21(29)15-27-19-12-8-7-11-18(19)26-23(24(27)31)28(16-22(30)34-5-2)25-14-17-10-6-9-13-20(17)32-3/h6-14H,4-5,15-16H2,1-3H3/b25-14+.
What are the key properties of ethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate?
ethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate has a molecular weight of 466.49 g/mol, XLogP of 2.37, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2-ethoxy-2-oxoethyl)-[(E)-(2-methoxyphenyl)methylideneamino]amino]-2-oxoquinoxalin-1-yl]acetate is sourced from PubChem (CID 51032668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).