[(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate

C18H19NO3 — CID 8824964

IUPAC[(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate
SMILESCc1nc2ccccc2c(C)c1C(=O)O[C@@H]1CCCCC1=O
InChIInChI=1S/C18H19NO3/c1-11-13-7-3-4-8-14(13)19-12(2)17(11)18(21)22-16-10-6-5-9-15(16)20/h3-4,7-8,16H,5-6,9-10H2,1-2H3/t16-/m1/s1
InChIKeyWXOXOXUTQBTJAI-MRXNPFEDSA-N
MW297.35 g/mol
LogP3.52
Rot. Bonds2

About [(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate

[(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate (PubChem CID 8824964) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Name[(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate
PubChem CID8824964
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate
SMILESCc1nc2ccccc2c(C)c1C(=O)O[C@@H]1CCCCC1=O
InChIInChI=1S/C18H19NO3/c1-11-13-7-3-4-8-14(13)19-12(2)17(11)18(21)22-16-10-6-5-9-15(16)20/h3-4,7-8,16H,5-6,9-10H2,1-2H3/t16-/m1/s1
InChIKeyWXOXOXUTQBTJAI-MRXNPFEDSA-N
XLogP3.52
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate?
The IUPAC name of [(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate (CID 8824964) is [(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate.
What is the SMILES notation for [(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate?
The canonical SMILES for [(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate is Cc1nc2ccccc2c(C)c1C(=O)O[C@@H]1CCCCC1=O.
What is the InChIKey of [(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate?
The InChIKey is WXOXOXUTQBTJAI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-13-7-3-4-8-14(13)19-12(2)17(11)18(21)22-16-10-6-5-9-15(16)20/h3-4,7-8,16H,5-6,9-10H2,1-2H3/t16-/m1/s1.
What are the key properties of [(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate?
[(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 8824964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).