(2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate

C17H19NO3 — CID 664971

IUPAC(2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
SMILESO=C(OCc1cc2ccccc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C17H19NO3/c19-16-14(10-13-8-4-5-9-15(13)18-16)11-21-17(20)12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,18,19)
InChIKeyKGTBRJGLKSVMHE-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.15
Rot. Bonds3

About (2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate

(2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate (PubChem CID 664971) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
PubChem CID664971
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
SMILESO=C(OCc1cc2ccccc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C17H19NO3/c19-16-14(10-13-8-4-5-9-15(13)18-16)11-21-17(20)12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,18,19)
InChIKeyKGTBRJGLKSVMHE-UHFFFAOYSA-N
XLogP3.15
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate (CID 664971) is (2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate is O=C(OCc1cc2ccccc2[nH]c1=O)C1CCCCC1.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate?
The InChIKey is KGTBRJGLKSVMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-16-14(10-13-8-4-5-9-15(13)18-16)11-21-17(20)12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,18,19).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate?
(2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate is sourced from PubChem (CID 664971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).