N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide

C20H21N3O3 — CID 110672503

IUPACN-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)cc(OC)c1
InChIInChI=1S/C20H21N3O3/c1-12-13(2)23-19-9-15(5-6-18(19)22-12)20(24)21-11-14-7-16(25-3)10-17(8-14)26-4/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyLNXYKARSDXSPKY-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.19
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 110672503) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID110672503
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)cc(OC)c1
InChIInChI=1S/C20H21N3O3/c1-12-13(2)23-19-9-15(5-6-18(19)22-12)20(24)21-11-14-7-16(25-3)10-17(8-14)26-4/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyLNXYKARSDXSPKY-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55907266
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 30474759
2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide
CID 110745511
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110795132
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide
CID 55761276
2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
CID 5073153
2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
CID 55703032
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46439035

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 110672503) is N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide is COc1cc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is LNXYKARSDXSPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12-13(2)23-19-9-15(5-6-18(19)22-12)20(24)21-11-14-7-16(25-3)10-17(8-14)26-4/h5-10H,11H2,1-4H3,(H,21,24).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 110672503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).