N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide

C22H25N3O2 — CID 50779889

IUPACN-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
SMILESCCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C22H25N3O2/c1-5-11-27-22-20(21(26)23-17-9-7-16(6-2)8-10-17)24-18-12-14(3)15(4)13-19(18)25-22/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,26)
InChIKeyAYMGTVLMOCRFLU-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.85
Rot. Bonds6

About N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide

N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide (PubChem CID 50779889) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
PubChem CID50779889
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
SMILESCCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C22H25N3O2/c1-5-11-27-22-20(21(26)23-17-9-7-16(6-2)8-10-17)24-18-12-14(3)15(4)13-19(18)25-22/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,26)
InChIKeyAYMGTVLMOCRFLU-UHFFFAOYSA-N
XLogP4.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779973
3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide
CID 50779971
3-methoxy-6,7-dimethyl-N-(4-methylphenyl)quinoxaline-2-carboxamide
CID 50780048
N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249288
3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide
CID 50779903
3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide
CID 50780012
N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780090
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691732
2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109314974
N-(4-ethylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63210110
N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494324
6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide (CID 50779889) is N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide is CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(CC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide?
The InChIKey is AYMGTVLMOCRFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-5-11-27-22-20(21(26)23-17-9-7-16(6-2)8-10-17)24-18-12-14(3)15(4)13-19(18)25-22/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,26).
What are the key properties of N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide?
N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide is sourced from PubChem (CID 50779889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).