N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide

C22H25N3O3 — CID 50779957

IUPACN-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2nc3cc(C)c(C)cc3nc2OC(C)C)cc1
InChIInChI=1S/C22H25N3O3/c1-6-27-17-9-7-16(8-10-17)23-21(26)20-22(28-13(2)3)25-19-12-15(5)14(4)11-18(19)24-20/h7-13H,6H2,1-5H3,(H,23,26)
InChIKeyKAYJIXGEBFCBOU-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.68
Rot. Bonds6

About N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide

N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide (PubChem CID 50779957) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
PubChem CID50779957
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2nc3cc(C)c(C)cc3nc2OC(C)C)cc1
InChIInChI=1S/C22H25N3O3/c1-6-27-17-9-7-16(8-10-17)23-21(26)20-22(28-13(2)3)25-19-12-15(5)14(4)11-18(19)24-20/h7-13H,6H2,1-5H3,(H,23,26)
InChIKeyKAYJIXGEBFCBOU-UHFFFAOYSA-N
XLogP4.68
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779956
3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide
CID 50779903
N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779889
3-methoxy-6,7-dimethyl-N-(4-methylphenyl)quinoxaline-2-carboxamide
CID 50780048
3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide
CID 50779971
6-N-(3,4-dimethylphenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100441
3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide
CID 50780012
N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779973
N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691761
2-(4-ethoxyphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 19177758
N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780090
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide (CID 50779957) is N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide is CCOc1ccc(NC(=O)c2nc3cc(C)c(C)cc3nc2OC(C)C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide?
The InChIKey is KAYJIXGEBFCBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-6-27-17-9-7-16(8-10-17)23-21(26)20-22(28-13(2)3)25-19-12-15(5)14(4)11-18(19)24-20/h7-13H,6H2,1-5H3,(H,23,26).
What are the key properties of N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide?
N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide is sourced from PubChem (CID 50779957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).