1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide

C21H23N3O3 — CID 9489188

IUPAC1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NCCOc3cccc(C)c3)ccc21
InChIInChI=1S/C21H23N3O3/c1-4-24-19-9-8-16(13-18(19)23-15(3)21(24)26)20(25)22-10-11-27-17-7-5-6-14(2)12-17/h5-9,12-13H,4,10-11H2,1-3H3,(H,22,25)
InChIKeyIFHLWDUZZKNCJW-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.84
Rot. Bonds6

About 1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide

1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide (PubChem CID 9489188) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide
PubChem CID9489188
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NCCOc3cccc(C)c3)ccc21
InChIInChI=1S/C21H23N3O3/c1-4-24-19-9-8-16(13-18(19)23-15(3)21(24)26)20(25)22-10-11-27-17-7-5-6-14(2)12-17/h5-9,12-13H,4,10-11H2,1-3H3,(H,22,25)
InChIKeyIFHLWDUZZKNCJW-UHFFFAOYSA-N
XLogP2.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
1-benzyl-N-(3-ethoxypropyl)-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058345
1-ethyl-3-methyl-N-[3-(N-methylanilino)propyl]-2-oxoquinoxaline-6-carboxamide
CID 37315842
1-ethyl-3-methyl-N-(4-methyl-2-pyridinyl)-2-oxoquinoxaline-6-carboxamide
CID 35029668
1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058291
2-(4-methylphenoxy)ethyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519097
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
[2-(2-methoxyethylamino)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519039
1-ethyl-3-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxoquinoxaline-6-carboxamide
CID 46426625
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
1-ethyl-N-[2-(4-methylphenoxy)ethyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 27823645
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide (CID 9489188) is 1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)NCCOc3cccc(C)c3)ccc21.
What is the InChIKey of 1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide?
The InChIKey is IFHLWDUZZKNCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-24-19-9-8-16(13-18(19)23-15(3)21(24)26)20(25)22-10-11-27-17-7-5-6-14(2)12-17/h5-9,12-13H,4,10-11H2,1-3H3,(H,22,25).
What are the key properties of 1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide?
1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 9489188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).