methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate

C13H15NO4 — CID 81107719

IUPACmethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate
SMILESCOC(=O)CCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H15NO4/c1-18-13(17)7-8-14-10-3-2-4-11(15)9(10)5-6-12(14)16/h5-6H,2-4,7-8H2,1H3
InChIKeyUMBSJKFRWWFHSG-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.93
Rot. Bonds3

About methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate

methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate (PubChem CID 81107719) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate
PubChem CID81107719
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate
SMILESCOC(=O)CCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H15NO4/c1-18-13(17)7-8-14-10-3-2-4-11(15)9(10)5-6-12(14)16/h5-6H,2-4,7-8H2,1H3
InChIKeyUMBSJKFRWWFHSG-UHFFFAOYSA-N
XLogP0.93
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate with MolForge

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Related Compounds

methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
CID 44825792
N-ethyl-5-oxo-5,6,7,8-tetrahydrocarbostyril
CID 12229996
1-Isopropyl-7,8-dihydroquinoline-2,5(1H,6H)-dione
CID 10104400
1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81106487
1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109165
ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate
CID 81298681
2,5(1H,6H)-Quinolinedione, 7,8-dihydro-1-propyl-
CID 10013187
5,6,7,8-tetrahydro-1-(3-methyl-2-butenyl)-5-oxo-2(1H)-quinolinone
CID 10105297
5,6,7,8-tetrahydro-5-oxo-1-(2-propenyl)-2(1H)-quinolinone
CID 10330512
1-hexyl-5,6,7,8-tetrahydro-5-oxo-2(1H)-quinolinone
CID 10422086
1-Methyl-7,8-dihydroquinoline-2,5(1H,6H)-dione
CID 10442242
1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 11775608

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate?
The IUPAC name of methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate (CID 81107719) is methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate?
The canonical SMILES for methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate is COC(=O)CCn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate?
The InChIKey is UMBSJKFRWWFHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-18-13(17)7-8-14-10-3-2-4-11(15)9(10)5-6-12(14)16/h5-6H,2-4,7-8H2,1H3.
What are the key properties of methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate?
methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate has a molecular weight of 249.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate is sourced from PubChem (CID 81107719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).