methyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate

C15H15NO4 — CID 10923721

IUPACmethyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate
SMILESCOC(=O)Cc1nc2c(C)cccc2cc1C(=O)OC
InChIInChI=1S/C15H15NO4/c1-9-5-4-6-10-7-11(15(18)20-3)12(16-14(9)10)8-13(17)19-2/h4-7H,8H2,1-3H3
InChIKeyNVSNIBOFWQBDEX-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.05
Rot. Bonds3

About methyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate

methyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate (PubChem CID 10923721) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate
PubChem CID10923721
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate
SMILESCOC(=O)Cc1nc2c(C)cccc2cc1C(=O)OC
InChIInChI=1S/C15H15NO4/c1-9-5-4-6-10-7-11(15(18)20-3)12(16-14(9)10)8-13(17)19-2/h4-7H,8H2,1-3H3
InChIKeyNVSNIBOFWQBDEX-UHFFFAOYSA-N
XLogP2.05
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-8-methylquinoline-3-carboxylate
CID 135393173
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
methyl 4-(2-methoxy-2-oxoethyl)-2-methylbenzoate
CID 171792318
methyl 2-(5-methylisoquinolin-1-yl)acetate
CID 82575040
methyl 2-amino-3-(2-chloro-8-methylquinolin-3-yl)propanoate
CID 170883499
methyl 3-(2-methoxy-2-oxoethyl)-4-methylbenzoate
CID 59212520
methyl 2-(3-methoxy-3-oxopropyl)-3-methylbenzoate
CID 134633970
methyl 2-amino-8-fluoroquinoline-3-carboxylate
CID 135392236
methyl 2-(2-fluoro-3-methylphenyl)acetate
CID 130064946
methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate
CID 143365947
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
methyl 2-chloro-8-(trifluoromethyl)quinoline-3-carboxylate
CID 117246678

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate?
The IUPAC name of methyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate (CID 10923721) is methyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate?
The canonical SMILES for methyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate is COC(=O)Cc1nc2c(C)cccc2cc1C(=O)OC.
What is the InChIKey of methyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate?
The InChIKey is NVSNIBOFWQBDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-5-4-6-10-7-11(15(18)20-3)12(16-14(9)10)8-13(17)19-2/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate?
methyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate is sourced from PubChem (CID 10923721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).