tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate

C16H24N2O2 — CID 66339250

IUPACtert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate
SMILESCC(C(=O)OC(C)(C)C)N1CCN(C)c2ccccc21
InChIInChI=1S/C16H24N2O2/c1-12(15(19)20-16(2,3)4)18-11-10-17(5)13-8-6-7-9-14(13)18/h6-9,12H,10-11H2,1-5H3
InChIKeyMAGVQHKHMPXBQA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.67
Rot. Bonds2

About tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate

tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate (PubChem CID 66339250) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate
PubChem CID66339250
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate
SMILESCC(C(=O)OC(C)(C)C)N1CCN(C)c2ccccc21
InChIInChI=1S/C16H24N2O2/c1-12(15(19)20-16(2,3)4)18-11-10-17(5)13-8-6-7-9-14(13)18/h6-9,12H,10-11H2,1-5H3
InChIKeyMAGVQHKHMPXBQA-UHFFFAOYSA-N
XLogP2.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate 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

tert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate
CID 64688932
tert-butyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)propanoate
CID 82007425
3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 63777493
ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate
CID 64663497
tert-butyl 2-(1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate
CID 66337936
3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine
CID 63777654
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 55235571
N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
CID 63778604
2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid
CID 63776639
3-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentanethioamide
CID 63778748
tert-butyl 4-[2-[(1S)-1-aminoethyl]phenyl]piperazine-1-carboxylate
CID 67625337
3,3-dimethyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanoic acid
CID 116537185

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate?
The IUPAC name of tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate (CID 66339250) is tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate.
What is the SMILES notation for tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate?
The canonical SMILES for tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate is CC(C(=O)OC(C)(C)C)N1CCN(C)c2ccccc21.
What is the InChIKey of tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate?
The InChIKey is MAGVQHKHMPXBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(15(19)20-16(2,3)4)18-11-10-17(5)13-8-6-7-9-14(13)18/h6-9,12H,10-11H2,1-5H3.
What are the key properties of tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate?
tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate has a molecular weight of 276.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate is sourced from PubChem (CID 66339250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).