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

C21H21N3O3 — CID 50780095

IUPACN-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide
SMILESCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C21H21N3O3/c1-5-27-21-19(23-17-9-12(2)13(3)10-18(17)24-21)20(26)22-16-8-6-7-15(11-16)14(4)25/h6-11H,5H2,1-4H3,(H,22,26)
InChIKeyMDRJECIBKHWODQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.10
Rot. Bonds5

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

N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide (PubChem CID 50780095) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide
PubChem CID50780095
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide
SMILESCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C21H21N3O3/c1-5-27-21-19(23-17-9-12(2)13(3)10-18(17)24-21)20(26)22-16-8-6-7-15(11-16)14(4)25/h6-11H,5H2,1-4H3,(H,22,26)
InChIKeyMDRJECIBKHWODQ-UHFFFAOYSA-N
XLogP4.10
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide
CID 50779971
N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide
CID 50780737
N-(3-acetylphenyl)-2-ethoxypyridine-3-carboxamide
CID 7959021
N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide
CID 110861072
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
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
3-methoxy-6,7-dimethyl-N-(4-methylphenyl)quinoxaline-2-carboxamide
CID 50780048
N-(3-acetylphenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109199996
N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
CID 53080148
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide (CID 50780095) is N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide is CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide?
The InChIKey is MDRJECIBKHWODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-5-27-21-19(23-17-9-12(2)13(3)10-18(17)24-21)20(26)22-16-8-6-7-15(11-16)14(4)25/h6-11H,5H2,1-4H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide?
N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide is sourced from PubChem (CID 50780095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).