3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one

C16H15NO2 — CID 19600633

IUPAC3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1c2cc(O)ccc2NCC1Cc1ccccc1
InChIInChI=1S/C16H15NO2/c18-13-6-7-15-14(9-13)16(19)12(10-17-15)8-11-4-2-1-3-5-11/h1-7,9,12,17-18H,8,10H2
InChIKeyUQNPBTHDZVYMHL-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.86
Rot. Bonds2

About 3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one

3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one (PubChem CID 19600633) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one
PubChem CID19600633
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1c2cc(O)ccc2NCC1Cc1ccccc1
InChIInChI=1S/C16H15NO2/c18-13-6-7-15-14(9-13)16(19)12(10-17-15)8-11-4-2-1-3-5-11/h1-7,9,12,17-18H,8,10H2
InChIKeyUQNPBTHDZVYMHL-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one (CID 19600633) is 3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one is O=C1c2cc(O)ccc2NCC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is UQNPBTHDZVYMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-13-6-7-15-14(9-13)16(19)12(10-17-15)8-11-4-2-1-3-5-11/h1-7,9,12,17-18H,8,10H2.
What are the key properties of 3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one?
3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 253.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 19600633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).