[(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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Related Compounds

[(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate
CID 8824964
(2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3957619
(1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate
CID 3941582
[2-(dimethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2092337
[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2417862
[(1R)-1-cyanoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592746
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847117
[(1R)-2-oxocyclohexyl] (4E)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate
CID 7856358
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847157
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592720
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 41465015
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 6601105

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).