[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate

C21H24N2O3 — CID 8521907

IUPAC[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCCN(C(=O)COC(=O)c1cc(C)nc2ccccc12)C1=CCCCC1
InChIInChI=1S/C21H24N2O3/c1-3-23(16-9-5-4-6-10-16)20(24)14-26-21(25)18-13-15(2)22-19-12-8-7-11-17(18)19/h7-9,11-13H,3-6,10,14H2,1-2H3
InChIKeyWXRHIYLNFBOPKM-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.01
Rot. Bonds5

About [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate

[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate (PubChem CID 8521907) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
PubChem CID8521907
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCCN(C(=O)COC(=O)c1cc(C)nc2ccccc12)C1=CCCCC1
InChIInChI=1S/C21H24N2O3/c1-3-23(16-9-5-4-6-10-16)20(24)14-26-21(25)18-13-15(2)22-19-12-8-7-11-17(18)19/h7-9,11-13H,3-6,10,14H2,1-2H3
InChIKeyWXRHIYLNFBOPKM-UHFFFAOYSA-N
XLogP4.01
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 18273323
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate
CID 8577361
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-acetamido-3-methylbenzoate
CID 18169986
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate
CID 2083757
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-chloro-4-nitrobenzoate
CID 8512677
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 18193438
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18193445
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate
CID 2633522
benzyl 2-methylquinoline-4-carboxylate
CID 804130
[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089509
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 18193487
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8577346

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate (CID 8521907) is [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate is CCN(C(=O)COC(=O)c1cc(C)nc2ccccc12)C1=CCCCC1.
What is the InChIKey of [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is WXRHIYLNFBOPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-23(16-9-5-4-6-10-16)20(24)14-26-21(25)18-13-15(2)22-19-12-8-7-11-17(18)19/h7-9,11-13H,3-6,10,14H2,1-2H3.
What are the key properties of [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 352.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 8521907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).