N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide

C20H21N3O4 — CID 46364977

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2nc3ccccc3n(C)c2=O)cc1OC
InChIInChI=1S/C20H21N3O4/c1-4-27-16-10-9-13(11-17(16)26-3)12-21-19(24)18-20(25)23(2)15-8-6-5-7-14(15)22-18/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyQCZAIHSGPAASGX-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.27
Rot. Bonds6

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 46364977) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
PubChem CID46364977
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2nc3ccccc3n(C)c2=O)cc1OC
InChIInChI=1S/C20H21N3O4/c1-4-27-16-10-9-13(11-17(16)26-3)12-21-19(24)18-20(25)23(2)15-8-6-5-7-14(15)22-18/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyQCZAIHSGPAASGX-UHFFFAOYSA-N
XLogP2.27
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 92865055
N-[2-(2-ethoxyphenyl)phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976106
N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46364976
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 55659737
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide
CID 22553602
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393870
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-(benzimidazol-1-yl)benzamide
CID 55866271
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918258
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 53080400
2-(1,3-dioxoisoindol-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylbutanamide
CID 55677457
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55762586

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide (CID 46364977) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide is CCOc1ccc(CNC(=O)c2nc3ccccc3n(C)c2=O)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is QCZAIHSGPAASGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-27-16-10-9-13(11-17(16)26-3)12-21-19(24)18-20(25)23(2)15-8-6-5-7-14(15)22-18/h5-11H,4,12H2,1-3H3,(H,21,24).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 46364977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).