N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide

C22H25N3O3 — CID 22588087

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3cccc(OC)c3OC)cc2nc1CC
InChIInChI=1S/C22H25N3O3/c1-5-16-17(6-2)25-19-12-14(10-11-18(19)24-16)22(26)23-13-15-8-7-9-20(27-3)21(15)28-4/h7-12H,5-6,13H2,1-4H3,(H,23,26)
InChIKeyFMALGHXUZDZUKQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.70
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide (PubChem CID 22588087) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide
PubChem CID22588087
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3cccc(OC)c3OC)cc2nc1CC
InChIInChI=1S/C22H25N3O3/c1-5-16-17(6-2)25-19-12-14(10-11-18(19)24-16)22(26)23-13-15-8-7-9-20(27-3)21(15)28-4/h7-12H,5-6,13H2,1-4H3,(H,23,26)
InChIKeyFMALGHXUZDZUKQ-UHFFFAOYSA-N
XLogP3.70
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53058261
3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide
CID 46410283
2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 22588071
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55583363
N-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 46586806
N-[(2-methoxyphenyl)methyl]-6H-indolo[2,3-b]quinoxaline-2-carboxamide
CID 6079611
2,3-diethyl-N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2302300
N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 46590512
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192099
1-butyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 16679436
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide (CID 22588087) is N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide is CCc1nc2ccc(C(=O)NCc3cccc(OC)c3OC)cc2nc1CC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide?
The InChIKey is FMALGHXUZDZUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-5-16-17(6-2)25-19-12-14(10-11-18(19)24-16)22(26)23-13-15-8-7-9-20(27-3)21(15)28-4/h7-12H,5-6,13H2,1-4H3,(H,23,26).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide is sourced from PubChem (CID 22588087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).