N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide

C20H21N3O3 — CID 46474012

IUPACN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2cnc3ccccc3n2)cc1OC
InChIInChI=1S/C20H21N3O3/c1-12-9-18(25-3)19(26-4)10-14(12)13(2)22-20(24)17-11-21-15-7-5-6-8-16(15)23-17/h5-11,13H,1-4H3,(H,22,24)
InChIKeyICKQKVMFXHMKNE-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.45
Rot. Bonds5

About N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide

N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide (PubChem CID 46474012) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide
PubChem CID46474012
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2cnc3ccccc3n2)cc1OC
InChIInChI=1S/C20H21N3O3/c1-12-9-18(25-3)19(26-4)10-14(12)13(2)22-20(24)17-11-21-15-7-5-6-8-16(15)23-17/h5-11,13H,1-4H3,(H,22,24)
InChIKeyICKQKVMFXHMKNE-UHFFFAOYSA-N
XLogP3.45
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184993
N-[1-(5-methylfuran-2-yl)ethyl]quinoxaline-2-carboxamide
CID 46443465
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide
CID 134013463
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide
CID 9262198
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 46465379
3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide
CID 46485734
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402642
N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide
CID 91786383

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide (CID 46474012) is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide is COc1cc(C)c(C(C)NC(=O)c2cnc3ccccc3n2)cc1OC.
What is the InChIKey of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide?
The InChIKey is ICKQKVMFXHMKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12-9-18(25-3)19(26-4)10-14(12)13(2)22-20(24)17-11-21-15-7-5-6-8-16(15)23-17/h5-11,13H,1-4H3,(H,22,24).
What are the key properties of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide?
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 46474012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).