N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

C20H23N3O4 — CID 3238981

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESCOc1ccc(CCNC(=O)CC2Nc3ccccc3NC2=O)cc1OC
InChIInChI=1S/C20H23N3O4/c1-26-17-8-7-13(11-18(17)27-2)9-10-21-19(24)12-16-20(25)23-15-6-4-3-5-14(15)22-16/h3-8,11,16,22H,9-10,12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyJICLZWSWWGUJDK-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.19
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (PubChem CID 3238981) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
PubChem CID3238981
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESCOc1ccc(CCNC(=O)CC2Nc3ccccc3NC2=O)cc1OC
InChIInChI=1S/C20H23N3O4/c1-26-17-8-7-13(11-18(17)27-2)9-10-21-19(24)12-16-20(25)23-15-6-4-3-5-14(15)22-16/h3-8,11,16,22H,9-10,12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyJICLZWSWWGUJDK-UHFFFAOYSA-N
XLogP2.19
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (CID 3238981) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is COc1ccc(CCNC(=O)CC2Nc3ccccc3NC2=O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The InChIKey is JICLZWSWWGUJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-17-8-7-13(11-18(17)27-2)9-10-21-19(24)12-16-20(25)23-15-6-4-3-5-14(15)22-16/h3-8,11,16,22H,9-10,12H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide has a molecular weight of 369.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is sourced from PubChem (CID 3238981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).