cyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate

C17H19NO4 — CID 54684135

IUPACcyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate
SMILESO=C(Cc1c(O)c2ccccc2[nH]c1=O)OC1CCCCC1
InChIInChI=1S/C17H19NO4/c19-15(22-11-6-2-1-3-7-11)10-13-16(20)12-8-4-5-9-14(12)18-17(13)21/h4-5,8-9,11H,1-3,6-7,10H2,(H2,18,20,21)
InChIKeyLWBORKBNRJRGAG-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.65
Rot. Bonds3

About cyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate

cyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate (PubChem CID 54684135) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is cyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate
PubChem CID54684135
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namecyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate
SMILESO=C(Cc1c(O)c2ccccc2[nH]c1=O)OC1CCCCC1
InChIInChI=1S/C17H19NO4/c19-15(22-11-6-2-1-3-7-11)10-13-16(20)12-8-4-5-9-14(12)18-17(13)21/h4-5,8-9,11H,1-3,6-7,10H2,(H2,18,20,21)
InChIKeyLWBORKBNRJRGAG-UHFFFAOYSA-N
XLogP2.65
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
The IUPAC name of cyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate (CID 54684135) is cyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate.
What is the SMILES notation for cyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
The canonical SMILES for cyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate is O=C(Cc1c(O)c2ccccc2[nH]c1=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
The InChIKey is LWBORKBNRJRGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c19-15(22-11-6-2-1-3-7-11)10-13-16(20)12-8-4-5-9-14(12)18-17(13)21/h4-5,8-9,11H,1-3,6-7,10H2,(H2,18,20,21).
What are the key properties of cyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
cyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate has a molecular weight of 301.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate is sourced from PubChem (CID 54684135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).