[(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate

C18H19NO3 — CID 2678306

IUPAC[(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)O[C@H]2CCCC2=O)c1C
InChIInChI=1S/C18H19NO3/c1-3-13-11(2)17(12-7-4-5-8-14(12)19-13)18(21)22-16-10-6-9-15(16)20/h4-5,7-8,16H,3,6,9-10H2,1-2H3/t16-/m0/s1
InChIKeyVRJZQTIEIRFNKP-INIZCTEOSA-N
MW297.35 g/mol
LogP3.38
Rot. Bonds3

About [(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate

[(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 2678306) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID2678306
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)O[C@H]2CCCC2=O)c1C
InChIInChI=1S/C18H19NO3/c1-3-13-11(2)17(12-7-4-5-8-14(12)19-13)18(21)22-16-10-6-9-15(16)20/h4-5,7-8,16H,3,6,9-10H2,1-2H3/t16-/m0/s1
InChIKeyVRJZQTIEIRFNKP-INIZCTEOSA-N
XLogP3.38
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of [(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate (CID 2678306) is [(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for [(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for [(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)O[C@H]2CCCC2=O)c1C.
What is the InChIKey of [(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is VRJZQTIEIRFNKP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-13-11(2)17(12-7-4-5-8-14(12)19-13)18(21)22-16-10-6-9-15(16)20/h4-5,7-8,16H,3,6,9-10H2,1-2H3/t16-/m0/s1.
What are the key properties of [(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate?
[(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 2678306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).