[2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C17H18N2O4 — CID 2434710

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC1CCCC1
InChIInChI=1S/C17H18N2O4/c20-15-9-13(12-7-3-4-8-14(12)19-15)17(22)23-10-16(21)18-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2,(H,18,21)(H,19,20)
InChIKeyYLWUWHPJMVMROJ-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.74
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2434710) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2434710
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC1CCCC1
InChIInChI=1S/C17H18N2O4/c20-15-9-13(12-7-3-4-8-14(12)19-15)17(22)23-10-16(21)18-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2,(H,18,21)(H,19,20)
InChIKeyYLWUWHPJMVMROJ-UHFFFAOYSA-N
XLogP1.74
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethoxycarbonyl-2-quinolone
CID 160782
4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester
CID 181636
2-Oxo-2-phenylethyl 2-hydroxyquinoline-4-carboxylate
CID 684408
[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358098
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 2388958
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2391569
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2417566
[2-(Methylamino)-2-oxoethyl] 2-anilinobenzoate
CID 2420011
[1-(2,3-Dihydroindol-1-yl)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 16392702
Propyl 2-hydroxyquinoline-4-carboxylate
CID 649303
butyl 2-oxo-1H-quinoline-4-carboxylate
CID 660495
2-Oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44363691

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2434710) is [2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is YLWUWHPJMVMROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-15-9-13(12-7-3-4-8-14(12)19-15)17(22)23-10-16(21)18-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2,(H,18,21)(H,19,20).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2434710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).