1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide

C27H26N4O5 — CID 24538873

IUPAC1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NNC(=O)COc3ccc(OCc4ccccc4)cc3)ccc21
InChIInChI=1S/C27H26N4O5/c1-3-31-24-14-9-20(15-23(24)28-18(2)27(31)34)26(33)30-29-25(32)17-36-22-12-10-21(11-13-22)35-16-19-7-5-4-6-8-19/h4-15H,3,16-17H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyZUDGHJCTKIYTAI-UHFFFAOYSA-N
MW486.53 g/mol
LogP3.14
Rot. Bonds8

About 1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide

1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide (PubChem CID 24538873) has the molecular formula C27H26N4O5 and a molecular weight of 486.53 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide
PubChem CID24538873
Molecular FormulaC27H26N4O5
Molecular Weight486.53 g/mol
Exact Mass486.19
IUPAC Name1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NNC(=O)COc3ccc(OCc4ccccc4)cc3)ccc21
InChIInChI=1S/C27H26N4O5/c1-3-31-24-14-9-20(15-23(24)28-18(2)27(31)34)26(33)30-29-25(32)17-36-22-12-10-21(11-13-22)35-16-19-7-5-4-6-8-19/h4-15H,3,16-17H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyZUDGHJCTKIYTAI-UHFFFAOYSA-N
XLogP3.14
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7580923
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
[2-(naphthalen-2-ylamino)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7518959
[2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7991043
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide
CID 24659166
N'-[2-(2-tert-butylphenoxy)acetyl]-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 24535909
1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide
CID 9489188
2-(4-methoxyphenoxy)ethyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990928
2-(4-methylphenoxy)ethyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519097
1-ethyl-3-methyl-2-oxo-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)quinoxaline-6-carbohydrazide
CID 24517373

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide?
The IUPAC name of 1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide (CID 24538873) is 1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide.
What is the SMILES notation for 1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide?
The canonical SMILES for 1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide is CCn1c(=O)c(C)nc2cc(C(=O)NNC(=O)COc3ccc(OCc4ccccc4)cc3)ccc21.
What is the InChIKey of 1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide?
The InChIKey is ZUDGHJCTKIYTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5/c1-3-31-24-14-9-20(15-23(24)28-18(2)27(31)34)26(33)30-29-25(32)17-36-22-12-10-21(11-13-22)35-16-19-7-5-4-6-8-19/h4-15H,3,16-17H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide?
1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide has a molecular weight of 486.53 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide is sourced from PubChem (CID 24538873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).