methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate

C16H21N3O2 — CID 62375037

IUPACmethyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)Nc1nc2ccccc2nc1C
InChIInChI=1S/C16H21N3O2/c1-10(2)9-14(16(20)21-4)19-15-11(3)17-12-7-5-6-8-13(12)18-15/h5-8,10,14H,9H2,1-4H3,(H,18,19)
InChIKeyMUOAOYUKLRBVOB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.94
Rot. Bonds5

About methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate

methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate (PubChem CID 62375037) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate
PubChem CID62375037
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namemethyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)Nc1nc2ccccc2nc1C
InChIInChI=1S/C16H21N3O2/c1-10(2)9-14(16(20)21-4)19-15-11(3)17-12-7-5-6-8-13(12)18-15/h5-8,10,14H,9H2,1-4H3,(H,18,19)
InChIKeyMUOAOYUKLRBVOB-UHFFFAOYSA-N
XLogP2.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate
CID 62254768
2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine
CID 63730686
methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate
CID 80811791
methyl 2-[(7-hydroxyisoquinolin-1-yl)amino]-4-methylpentanoate
CID 106536076
methyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890361
methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate
CID 80812300
methyl 2-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoate
CID 64588746
3-methyl-N-pentan-2-ylquinoxalin-2-amine
CID 60734285
methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate
CID 142662042
methyl 2-[(3-methylquinolin-2-yl)amino]propanoate
CID 63229182
ethyl 4-[(3-methylquinoxalin-2-yl)amino]benzoate
CID 91124666
methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate
CID 80812205

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate (CID 62375037) is methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate is COC(=O)C(CC(C)C)Nc1nc2ccccc2nc1C.
What is the InChIKey of methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate?
The InChIKey is MUOAOYUKLRBVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)9-14(16(20)21-4)19-15-11(3)17-12-7-5-6-8-13(12)18-15/h5-8,10,14H,9H2,1-4H3,(H,18,19).
What are the key properties of methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate?
methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate has a molecular weight of 287.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate is sourced from PubChem (CID 62375037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).