3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide

C21H23N3O2 — CID 50779971

IUPAC3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide
SMILESCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(CC)c1
InChIInChI=1S/C21H23N3O2/c1-5-15-8-7-9-16(12-15)22-20(25)19-21(26-6-2)24-18-11-14(4)13(3)10-17(18)23-19/h7-12H,5-6H2,1-4H3,(H,22,25)
InChIKeyUPIHZZCVWORWAQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.46
Rot. Bonds5

About 3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide

3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide (PubChem CID 50779971) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide
PubChem CID50779971
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide
SMILESCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(CC)c1
InChIInChI=1S/C21H23N3O2/c1-5-15-8-7-9-16(12-15)22-20(25)19-21(26-6-2)24-18-11-14(4)13(3)10-17(18)23-19/h7-12H,5-6H2,1-4H3,(H,22,25)
InChIKeyUPIHZZCVWORWAQ-UHFFFAOYSA-N
XLogP4.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780095
N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779889
N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide
CID 50780737
3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide
CID 50780012
N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779957
N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779973
N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779956
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
3-methoxy-6,7-dimethyl-N-(4-methylphenyl)quinoxaline-2-carboxamide
CID 50780048
N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780090
N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324557
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide?
The IUPAC name of 3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide (CID 50779971) is 3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide is CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(CC)c1.
What is the InChIKey of 3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide?
The InChIKey is UPIHZZCVWORWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-5-15-8-7-9-16(12-15)22-20(25)19-21(26-6-2)24-18-11-14(4)13(3)10-17(18)23-19/h7-12H,5-6H2,1-4H3,(H,22,25).
What are the key properties of 3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide?
3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide is sourced from PubChem (CID 50779971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).