2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate

C20H23NO4 — CID 102222265

IUPAC2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OC)c2cc(C3CCCCC3)ccc2n1
InChIInChI=1S/C20H23NO4/c1-3-25-20(23)18-12-16(19(22)24-2)15-11-14(9-10-17(15)21-18)13-7-5-4-6-8-13/h9-13H,3-8H2,1-2H3
InChIKeyBDAHUTAYLJIMAX-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.25
Rot. Bonds4

About 2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate

2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate (PubChem CID 102222265) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate.

Molecular Properties

Compound Name2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate
PubChem CID102222265
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OC)c2cc(C3CCCCC3)ccc2n1
InChIInChI=1S/C20H23NO4/c1-3-25-20(23)18-12-16(19(22)24-2)15-11-14(9-10-17(15)21-18)13-7-5-4-6-8-13/h9-13H,3-8H2,1-2H3
InChIKeyBDAHUTAYLJIMAX-UHFFFAOYSA-N
XLogP4.25
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid
CID 71486114
methyl 4-cycloheptyl-2-methylbenzoate
CID 135331828
ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 130275109
ethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate
CID 172562662
ethyl 1-(6-cyclohexyl-2-phenylquinolin-4-yl)-5-phenyltriazole-4-carboxylate
CID 10029033
methyl 2-amino-5-cyclobutylbenzoate
CID 107367727
methyl 3-cyclohexylbenzoate
CID 67160762
methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885
dimethyl 6-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylate
CID 11089322
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
ethyl 3-(4-cyclohexylphenyl)-1H-pyrazole-5-carboxylate
CID 75357944
2-ethoxycarbonyl-6-fluoroquinolin-4-olate
CID 51421181

Frequently Asked Questions

What is the IUPAC name of 2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate?
The IUPAC name of 2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate (CID 102222265) is 2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate.
What is the SMILES notation for 2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate?
The canonical SMILES for 2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate is CCOC(=O)c1cc(C(=O)OC)c2cc(C3CCCCC3)ccc2n1.
What is the InChIKey of 2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate?
The InChIKey is BDAHUTAYLJIMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-25-20(23)18-12-16(19(22)24-2)15-11-14(9-10-17(15)21-18)13-7-5-4-6-8-13/h9-13H,3-8H2,1-2H3.
What are the key properties of 2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate?
2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate has a molecular weight of 341.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate is sourced from PubChem (CID 102222265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).