N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

C20H21N3O4 — CID 50768132

IUPACN-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCOc1ccc(OC)c(CNC(=O)Cn2c(=O)c(C)nc3ccccc32)c1
InChIInChI=1S/C20H21N3O4/c1-13-20(25)23(17-7-5-4-6-16(17)22-13)12-19(24)21-11-14-10-15(26-2)8-9-18(14)27-3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyVULWZNVAFLZLEE-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.04
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide (PubChem CID 50768132) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
PubChem CID50768132
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCOc1ccc(OC)c(CNC(=O)Cn2c(=O)c(C)nc3ccccc32)c1
InChIInChI=1S/C20H21N3O4/c1-13-20(25)23(17-7-5-4-6-16(17)22-13)12-19(24)21-11-14-10-15(26-2)8-9-18(14)27-3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyVULWZNVAFLZLEE-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324354
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295466
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295554
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 127033876
N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
CID 50839728
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 71709825
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17032665
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 38091464
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17033010
N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 1157477

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide (CID 50768132) is N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide is COc1ccc(OC)c(CNC(=O)Cn2c(=O)c(C)nc3ccccc32)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is VULWZNVAFLZLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-20(25)23(17-7-5-4-6-16(17)22-13)12-19(24)21-11-14-10-15(26-2)8-9-18(14)27-3/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 367.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 50768132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).