methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate

C17H21N3O4 — CID 78812383

IUPACmethyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C17H21N3O4/c1-11(2)8-13(17(23)24-3)19-15(21)10-20-14-7-5-4-6-12(14)18-9-16(20)22/h4-7,9,11,13H,8,10H2,1-3H3,(H,19,21)
InChIKeyYHYSGBAVCHZSHU-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.10
Rot. Bonds6

About methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate

methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate (PubChem CID 78812383) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate
PubChem CID78812383
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Namemethyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C17H21N3O4/c1-11(2)8-13(17(23)24-3)19-15(21)10-20-14-7-5-4-6-12(14)18-9-16(20)22/h4-7,9,11,13H,8,10H2,1-3H3,(H,19,21)
InChIKeyYHYSGBAVCHZSHU-UHFFFAOYSA-N
XLogP1.10
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate 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-[(2R)-1-methoxypropan-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2509253
methyl (2S)-4-methyl-2-[[2-(5-quinolin-3-ylindol-1-yl)acetyl]amino]pentanoate
CID 118708042
N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 16548369
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41077979
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 26371826
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
2-(2-oxoquinoxalin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8023093
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 26098218
N-(3-acetylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2711463
N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 97019470
N-(2,6-difluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023290

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate (CID 78812383) is methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate?
The InChIKey is YHYSGBAVCHZSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11(2)8-13(17(23)24-3)19-15(21)10-20-14-7-5-4-6-12(14)18-9-16(20)22/h4-7,9,11,13H,8,10H2,1-3H3,(H,19,21).
What are the key properties of methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate?
methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate has a molecular weight of 331.37 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate is sourced from PubChem (CID 78812383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).