2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone

C17H17NO3 — CID 25067500

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone
SMILESO=C(CN1CCCc2ccccc21)c1ccc(O)c(O)c1
InChIInChI=1S/C17H17NO3/c19-15-8-7-13(10-16(15)20)17(21)11-18-9-3-5-12-4-1-2-6-14(12)18/h1-2,4,6-8,10,19-20H,3,5,9,11H2
InChIKeyZWTZCQXUFKRNQJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.73
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone

2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone (PubChem CID 25067500) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone
PubChem CID25067500
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone
SMILESO=C(CN1CCCc2ccccc21)c1ccc(O)c(O)c1
InChIInChI=1S/C17H17NO3/c19-15-8-7-13(10-16(15)20)17(21)11-18-9-3-5-12-4-1-2-6-14(12)18/h1-2,4,6-8,10,19-20H,3,5,9,11H2
InChIKeyZWTZCQXUFKRNQJ-UHFFFAOYSA-N
XLogP2.73
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone (CID 25067500) is 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone is O=C(CN1CCCc2ccccc21)c1ccc(O)c(O)c1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone?
The InChIKey is ZWTZCQXUFKRNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-15-8-7-13(10-16(15)20)17(21)11-18-9-3-5-12-4-1-2-6-14(12)18/h1-2,4,6-8,10,19-20H,3,5,9,11H2.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone?
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone has a molecular weight of 283.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 25067500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).