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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-6-hydroxy-2,3-dihydroinden-1-one
CID 19600781
3,6-diethyl-2,3-dihydro-1H-quinolin-4-one
CID 142549249
6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 11427427
6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 11623142
3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one
CID 71003969
3,5-dibenzyl-1,3-diazinane-2,4-dione
CID 136574184
5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one
CID 141214813
4-[[(2R,5R)-5-benzylpiperazin-2-yl]methyl]phenol
CID 171358745
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
(7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 11529583
(2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one
CID 125481885
(3S)-3-benzyl-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 1331425

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).