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

C15H19NO4 — CID 81108915

IUPACbutyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
SMILESCCCCOC(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C15H19NO4/c1-2-3-9-20-15(19)10-16-12-5-4-6-13(17)11(12)7-8-14(16)18/h7-8H,2-6,9-10H2,1H3
InChIKeyOBSRHBCJEOWSCP-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.71
Rot. Bonds5

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

butyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate (PubChem CID 81108915) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is butyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
PubChem CID81108915
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namebutyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
SMILESCCCCOC(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C15H19NO4/c1-2-3-9-20-15(19)10-16-12-5-4-6-13(17)11(12)7-8-14(16)18/h7-8H,2-6,9-10H2,1H3
InChIKeyOBSRHBCJEOWSCP-UHFFFAOYSA-N
XLogP1.71
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
The IUPAC name of butyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate (CID 81108915) is butyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate.
What is the SMILES notation for butyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
The canonical SMILES for butyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate is CCCCOC(=O)Cn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of butyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
The InChIKey is OBSRHBCJEOWSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-3-9-20-15(19)10-16-12-5-4-6-13(17)11(12)7-8-14(16)18/h7-8H,2-6,9-10H2,1H3.
What are the key properties of butyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
butyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate has a molecular weight of 277.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate is sourced from PubChem (CID 81108915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).