ethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate

C17H19NO3 — CID 172562662

IUPACethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(C3CCCC3)cc2[nH]c1=O
InChIInChI=1S/C17H19NO3/c1-2-21-17(20)14-9-13-8-7-12(11-5-3-4-6-11)10-15(13)18-16(14)19/h7-11H,2-6H2,1H3,(H,18,19)
InChIKeyQKYJRWQZTPBTBE-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.36
Rot. Bonds3

About ethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate

ethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 172562662) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate
PubChem CID172562662
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(C3CCCC3)cc2[nH]c1=O
InChIInChI=1S/C17H19NO3/c1-2-21-17(20)14-9-13-8-7-12(11-5-3-4-6-11)10-15(13)18-16(14)19/h7-11H,2-6H2,1H3,(H,18,19)
InChIKeyQKYJRWQZTPBTBE-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide
CID 176988893
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate
CID 3810203
2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate
CID 102222265
diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate
CID 6501538
ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 130275109
ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 29102064
ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate
CID 121205225
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 110426635
ethyl 2-oxo-1H-quinoline-7-carboxylate
CID 15091487
ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
CID 154729406

Frequently Asked Questions

What is the IUPAC name of ethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate (CID 172562662) is ethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1cc2ccc(C3CCCC3)cc2[nH]c1=O.
What is the InChIKey of ethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is QKYJRWQZTPBTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-21-17(20)14-9-13-8-7-12(11-5-3-4-6-11)10-15(13)18-16(14)19/h7-11H,2-6H2,1H3,(H,18,19).
What are the key properties of ethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate?
ethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 172562662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).