methyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate

C12H13NO4 — CID 19986002

IUPACmethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
SMILESCOC(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C12H13NO4/c1-17-12(16)7-13-9-3-2-4-10(14)8(9)5-6-11(13)15/h5-6H,2-4,7H2,1H3
InChIKeyYUJLUUCKKSPXMN-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.54
Rot. Bonds2

About methyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate

methyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate (PubChem CID 19986002) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
PubChem CID19986002
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Namemethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
SMILESCOC(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C12H13NO4/c1-17-12(16)7-13-9-3-2-4-10(14)8(9)5-6-11(13)15/h5-6H,2-4,7H2,1H3
InChIKeyYUJLUUCKKSPXMN-UHFFFAOYSA-N
XLogP0.54
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
The IUPAC name of methyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate (CID 19986002) is methyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate.
What is the SMILES notation for methyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
The canonical SMILES for methyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate is COC(=O)Cn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of methyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
The InChIKey is YUJLUUCKKSPXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-17-12(16)7-13-9-3-2-4-10(14)8(9)5-6-11(13)15/h5-6H,2-4,7H2,1H3.
What are the key properties of methyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
methyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate has a molecular weight of 235.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate is sourced from PubChem (CID 19986002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).