methyl 8-acetamidoquinoline-2-carboxylate

C13H12N2O3 — CID 139830366

IUPACmethyl 8-acetamidoquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(NC(C)=O)c2n1
InChIInChI=1S/C13H12N2O3/c1-8(16)14-10-5-3-4-9-6-7-11(13(17)18-2)15-12(9)10/h3-7H,1-2H3,(H,14,16)
InChIKeyXYFWYBAQVFJMCI-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.98
Rot. Bonds2

About methyl 8-acetamidoquinoline-2-carboxylate

methyl 8-acetamidoquinoline-2-carboxylate (PubChem CID 139830366) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 8-acetamidoquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-acetamidoquinoline-2-carboxylate
PubChem CID139830366
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Namemethyl 8-acetamidoquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(NC(C)=O)c2n1
InChIInChI=1S/C13H12N2O3/c1-8(16)14-10-5-3-4-9-6-7-11(13(17)18-2)15-12(9)10/h3-7H,1-2H3,(H,14,16)
InChIKeyXYFWYBAQVFJMCI-UHFFFAOYSA-N
XLogP1.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 8-sulfanylquinoline-2-carboxylate
CID 13378243
N-(2-cyanoquinolin-8-yl)acetamide
CID 139830356
methyl 8-fluoroquinoline-2-carboxylate;2,2,2-trifluoroacetic acid
CID 175906706
methyl 8-(2,2,2-trifluoroacetyl)oxyquinoline-2-carboxylate
CID 22730740
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
methyl 7-chloro-8-methylquinoline-2-carboxylate
CID 102941507
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186
methyl 7-chloro-8-fluoroquinoline-2-carboxylate
CID 102941458
2-methoxy-N-(2-methylquinolin-8-yl)acetamide
CID 62999446
8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid
CID 118902335
methyl 4-[3-[(2-methylquinolin-8-yl)amino]-3-oxoprop-1-enyl]benzoate
CID 72685101
1-(8-hydroxyquinolin-2-yl)ethanone
CID 19067452

Frequently Asked Questions

What is the IUPAC name of methyl 8-acetamidoquinoline-2-carboxylate?
The IUPAC name of methyl 8-acetamidoquinoline-2-carboxylate (CID 139830366) is methyl 8-acetamidoquinoline-2-carboxylate.
What is the SMILES notation for methyl 8-acetamidoquinoline-2-carboxylate?
The canonical SMILES for methyl 8-acetamidoquinoline-2-carboxylate is COC(=O)c1ccc2cccc(NC(C)=O)c2n1.
What is the InChIKey of methyl 8-acetamidoquinoline-2-carboxylate?
The InChIKey is XYFWYBAQVFJMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8(16)14-10-5-3-4-9-6-7-11(13(17)18-2)15-12(9)10/h3-7H,1-2H3,(H,14,16).
What are the key properties of methyl 8-acetamidoquinoline-2-carboxylate?
methyl 8-acetamidoquinoline-2-carboxylate has a molecular weight of 244.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-acetamidoquinoline-2-carboxylate is sourced from PubChem (CID 139830366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).