phenacyl quinoline-2-carboxylate

C18H13NO3 — CID 1158601

IUPACphenacyl quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H13NO3/c20-17(14-7-2-1-3-8-14)12-22-18(21)16-11-10-13-6-4-5-9-15(13)19-16/h1-11H,12H2
InChIKeyUDMOCRJTZZAPAN-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.27
Rot. Bonds4

About phenacyl quinoline-2-carboxylate

phenacyl quinoline-2-carboxylate (PubChem CID 1158601) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is phenacyl quinoline-2-carboxylate.

Molecular Properties

Compound Namephenacyl quinoline-2-carboxylate
PubChem CID1158601
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Namephenacyl quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H13NO3/c20-17(14-7-2-1-3-8-14)12-22-18(21)16-11-10-13-6-4-5-9-15(13)19-16/h1-11H,12H2
InChIKeyUDMOCRJTZZAPAN-UHFFFAOYSA-N
XLogP3.27
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenacyl quinoline-2-carboxylate?
The IUPAC name of phenacyl quinoline-2-carboxylate (CID 1158601) is phenacyl quinoline-2-carboxylate.
What is the SMILES notation for phenacyl quinoline-2-carboxylate?
The canonical SMILES for phenacyl quinoline-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of phenacyl quinoline-2-carboxylate?
The InChIKey is UDMOCRJTZZAPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c20-17(14-7-2-1-3-8-14)12-22-18(21)16-11-10-13-6-4-5-9-15(13)19-16/h1-11H,12H2.
What are the key properties of phenacyl quinoline-2-carboxylate?
phenacyl quinoline-2-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl quinoline-2-carboxylate is sourced from PubChem (CID 1158601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).