N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide

C21H22N4O4 — CID 46365271

IUPACN-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)c(OC)c1
InChIInChI=1S/C21H22N4O4/c1-27-14-7-8-17(18(13-14)28-2)24-21(26)19-20(25-9-11-29-12-10-25)23-16-6-4-3-5-15(16)22-19/h3-8,13H,9-12H2,1-2H3,(H,24,26)
InChIKeySSMXGEPCIROKGB-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.74
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide

N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide (PubChem CID 46365271) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
PubChem CID46365271
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)c(OC)c1
InChIInChI=1S/C21H22N4O4/c1-27-14-7-8-17(18(13-14)28-2)24-21(26)19-20(25-9-11-29-12-10-25)23-16-6-4-3-5-15(16)22-19/h3-8,13H,9-12H2,1-2H3,(H,24,26)
InChIKeySSMXGEPCIROKGB-UHFFFAOYSA-N
XLogP2.74
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183
N-(2,4-dimethoxyphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780781
N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886350
N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365212
N-(4-ethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886408
N-(4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886365
N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46249483
N-(2,4-dimethoxyphenyl)phenazine-1-carboxamide
CID 16824395
N-(2,4-dimethoxyphenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99951275
2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 75488892
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
N-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963534

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide (CID 46365271) is N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide is COc1ccc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide?
The InChIKey is SSMXGEPCIROKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-27-14-7-8-17(18(13-14)28-2)24-21(26)19-20(25-9-11-29-12-10-25)23-16-6-4-3-5-15(16)22-19/h3-8,13H,9-12H2,1-2H3,(H,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide?
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide is sourced from PubChem (CID 46365271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).