cyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate

C17H19NO3 — CID 11565450

IUPACcyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCc1ccc2[nH]cc(C(=O)OC3CCCC3)c(=O)c2c1
InChIInChI=1S/C17H19NO3/c1-2-11-7-8-15-13(9-11)16(19)14(10-18-15)17(20)21-12-5-3-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19)
InChIKeyXLRFFZMGTKMUJJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.19
Rot. Bonds3

About cyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate

cyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 11565450) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is cyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namecyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
PubChem CID11565450
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namecyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCc1ccc2[nH]cc(C(=O)OC3CCCC3)c(=O)c2c1
InChIInChI=1S/C17H19NO3/c1-2-11-7-8-15-13(9-11)16(19)14(10-18-15)17(20)21-12-5-3-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19)
InChIKeyXLRFFZMGTKMUJJ-UHFFFAOYSA-N
XLogP3.19
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-hydroxy-2-methylquinoline-3-carboxylate
CID 2986317
Ethyl 4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 220876
Amquinate
CID 28414
Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 689824
4-Quinolone-3-carboxylic acid
CID 220875
Methyl 4-hydroxyquinoline-3-carboxylate
CID 279958
Ethyl 4-hydroxybenzo(h)quinoline-3-carboxylate
CID 613604
6-Benzyl-3-ethoxycarbonyl-4-quinolone
CID 11529633
Gnf-PF-4421
CID 684193
ethyl 4-oxo-6-propan-2-yl-1H-quinoline-3-carboxylate
CID 690399
Ethyl 4-hydroxy-2-methylquinoline-6-carboxylate
CID 232605
4-Hydroxy-6,8-dimethylquinoline-3-carboxylic acid
CID 720014

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of cyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate (CID 11565450) is cyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for cyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for cyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate is CCc1ccc2[nH]cc(C(=O)OC3CCCC3)c(=O)c2c1.
What is the InChIKey of cyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is XLRFFZMGTKMUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-11-7-8-15-13(9-11)16(19)14(10-18-15)17(20)21-12-5-3-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19).
What are the key properties of cyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate?
cyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 11565450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).