N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C22H26N4O2 — CID 27332914

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)Cn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C22H26N4O2/c1-3-25(4-2)15-18-11-9-17(10-12-18)13-24-21(27)16-26-20-8-6-5-7-19(20)23-14-22(26)28/h5-12,14H,3-4,13,15-16H2,1-2H3,(H,24,27)
InChIKeyREXUZEHNIXCZJW-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.55
Rot. Bonds8

About N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 27332914) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID27332914
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)Cn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C22H26N4O2/c1-3-25(4-2)15-18-11-9-17(10-12-18)13-24-21(27)16-26-20-8-6-5-7-19(20)23-14-22(26)28/h5-12,14H,3-4,13,15-16H2,1-2H3,(H,24,27)
InChIKeyREXUZEHNIXCZJW-UHFFFAOYSA-N
XLogP2.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-[[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]methyl]benzamide
CID 134039211
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 9321843
2-(2-oxoquinoxalin-1-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 27168668
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55845388
2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 55737221
2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
CID 31482684
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24516361
1-benzyl-3-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]thiourea
CID 18271624
N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 31591027
N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 111115882
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 35013689

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 27332914) is N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide is CCN(CC)Cc1ccc(CNC(=O)Cn2c(=O)cnc3ccccc32)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is REXUZEHNIXCZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-25(4-2)15-18-11-9-17(10-12-18)13-24-21(27)16-26-20-8-6-5-7-19(20)23-14-22(26)28/h5-12,14H,3-4,13,15-16H2,1-2H3,(H,24,27).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 27332914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).