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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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).