methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate

C13H12N2O3 — CID 112617186

IUPACmethyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1cccc2ccc(C)nc12
InChIInChI=1S/C13H12N2O3/c1-8-6-7-9-4-3-5-10(11(9)14-8)15-12(16)13(17)18-2/h3-7H,1-2H3,(H,15,16)
InChIKeyYFFZSJAXANDURR-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.65
Rot. Bonds1

About methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate

methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate (PubChem CID 112617186) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
PubChem CID112617186
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Namemethyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1cccc2ccc(C)nc12
InChIInChI=1S/C13H12N2O3/c1-8-6-7-9-4-3-5-10(11(9)14-8)15-12(16)13(17)18-2/h3-7H,1-2H3,(H,15,16)
InChIKeyYFFZSJAXANDURR-UHFFFAOYSA-N
XLogP1.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(2-methylquinolin-8-yl)acetamide
CID 62999446
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
2-(4-methoxyphenoxy)-N-(2-methylquinolin-8-yl)acetamide
CID 17010763
2-hydroxy-N-(2-methylquinolin-8-yl)benzamide
CID 62954992
3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 110734160
2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide
CID 17274622
2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 62954623
4-hydroxy-N-(2-methylquinolin-8-yl)butanamide
CID 79192493
3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide
CID 63666962
3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 55152509
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate (CID 112617186) is methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate is COC(=O)C(=O)Nc1cccc2ccc(C)nc12.
What is the InChIKey of methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate?
The InChIKey is YFFZSJAXANDURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-6-7-9-4-3-5-10(11(9)14-8)15-12(16)13(17)18-2/h3-7H,1-2H3,(H,15,16).
What are the key properties of methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate?
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate has a molecular weight of 244.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate is sourced from PubChem (CID 112617186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).