ethyl 4-(2,4-dioxoquinolin-1-yl)butanoate

C15H17NO4 — CID 139237459

IUPACethyl 4-(2,4-dioxoquinolin-1-yl)butanoate
SMILESCCOC(=O)CCCN1C(=O)CC(=O)c2ccccc21
InChIInChI=1S/C15H17NO4/c1-2-20-15(19)8-5-9-16-12-7-4-3-6-11(12)13(17)10-14(16)18/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyNHTJLINHXBNFSW-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.95
Rot. Bonds5

About ethyl 4-(2,4-dioxoquinolin-1-yl)butanoate

ethyl 4-(2,4-dioxoquinolin-1-yl)butanoate (PubChem CID 139237459) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 4-(2,4-dioxoquinolin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(2,4-dioxoquinolin-1-yl)butanoate
PubChem CID139237459
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 4-(2,4-dioxoquinolin-1-yl)butanoate
SMILESCCOC(=O)CCCN1C(=O)CC(=O)c2ccccc21
InChIInChI=1S/C15H17NO4/c1-2-20-15(19)8-5-9-16-12-7-4-3-6-11(12)13(17)10-14(16)18/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyNHTJLINHXBNFSW-UHFFFAOYSA-N
XLogP1.95
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
ethyl 3-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)propanoate
CID 142874027
ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate
CID 103484663
ethyl 8-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]octanoate
CID 169092059
ethyl 4-(4-ethoxy-4-oxobutyl)-3-oxo-1,4-benzoxazine-2-carboxylate
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ethyl 2-[(2E)-2-[1-(2-ethoxy-2-oxoethyl)-3-oxoindol-2-ylidene]-3-oxoindol-1-yl]acetate
CID 178001769
ethyl 3-(2,5-dioxo-1-prop-2-enyl-3H-1,4-benzodiazepin-4-yl)propanoate
CID 70067095
ethyl 5-(1,3-dioxoisoindol-2-yl)-4-oxo(513C)pentanoate
CID 10924265
ethyl 2,4-dioxo-1-pentylquinoline-3-carboxylate
CID 10380244
ethyl 8-(1,3-dioxoisoindol-2-yl)-6-hydroxyoctanoate
CID 170886181
1-(4-oxopentyl)-3H-indol-2-one
CID 114999184
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 46789772

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dioxoquinolin-1-yl)butanoate?
The IUPAC name of ethyl 4-(2,4-dioxoquinolin-1-yl)butanoate (CID 139237459) is ethyl 4-(2,4-dioxoquinolin-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(2,4-dioxoquinolin-1-yl)butanoate?
The canonical SMILES for ethyl 4-(2,4-dioxoquinolin-1-yl)butanoate is CCOC(=O)CCCN1C(=O)CC(=O)c2ccccc21.
What is the InChIKey of ethyl 4-(2,4-dioxoquinolin-1-yl)butanoate?
The InChIKey is NHTJLINHXBNFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-20-15(19)8-5-9-16-12-7-4-3-6-11(12)13(17)10-14(16)18/h3-4,6-7H,2,5,8-10H2,1H3.
What are the key properties of ethyl 4-(2,4-dioxoquinolin-1-yl)butanoate?
ethyl 4-(2,4-dioxoquinolin-1-yl)butanoate has a molecular weight of 275.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dioxoquinolin-1-yl)butanoate is sourced from PubChem (CID 139237459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).