(1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate

C19H15NO3 — CID 3151561

IUPAC(1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1
InChIInChI=1S/C19H15NO3/c1-13(18(21)15-8-3-2-4-9-15)23-19(22)17-12-11-14-7-5-6-10-16(14)20-17/h2-13H,1H3
InChIKeyXBFWCUCWTYZLCK-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.66
Rot. Bonds4

About (1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate

(1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate (PubChem CID 3151561) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate
PubChem CID3151561
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1
InChIInChI=1S/C19H15NO3/c1-13(18(21)15-8-3-2-4-9-15)23-19(22)17-12-11-14-7-5-6-10-16(14)20-17/h2-13H,1H3
InChIKeyXBFWCUCWTYZLCK-UHFFFAOYSA-N
XLogP3.66
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate (CID 3151561) is (1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate is CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate?
The InChIKey is XBFWCUCWTYZLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-13(18(21)15-8-3-2-4-9-15)23-19(22)17-12-11-14-7-5-6-10-16(14)20-17/h2-13H,1H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate?
(1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) quinoline-2-carboxylate is sourced from PubChem (CID 3151561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).