[2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate

C17H20N2O4 — CID 9346342

IUPAC[2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCCCCCNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H20N2O4/c1-2-3-6-9-18-16(21)11-23-17(22)13-10-15(20)19-14-8-5-4-7-12(13)14/h4-5,7-8,10H,2-3,6,9,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyCYKXFYJAOIFOFV-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.99
Rot. Bonds7

About [2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 9346342) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID9346342
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCCCCCNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H20N2O4/c1-2-3-6-9-18-16(21)11-23-17(22)13-10-15(20)19-14-8-5-4-7-12(13)14/h4-5,7-8,10H,2-3,6,9,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyCYKXFYJAOIFOFV-UHFFFAOYSA-N
XLogP1.99
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-methylbutylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573495
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 9346196
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573453
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761777
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573641
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2489819
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573652
[2-(4-methoxyanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573596
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761895
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573437
phenacyl 2-oxo-1H-quinoline-4-carboxylate
CID 684408
2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide
CID 18162773

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 9346342) is [2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate is CCCCCNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of [2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is CYKXFYJAOIFOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-2-3-6-9-18-16(21)11-23-17(22)13-10-15(20)19-14-8-5-4-7-12(13)14/h4-5,7-8,10H,2-3,6,9,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of [2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 9346342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).