4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one

C9H9NO2 — CID 59504541

IUPAC4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one
SMILES[2H]C1([2H])CC(=O)Nc2ccc(O)cc21
InChIInChI=1S/C9H9NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h2-3,5,11H,1,4H2,(H,10,12)/i1D2
InChIKeyHOSGXJWQVBHGLT-DICFDUPASA-N
MW165.19 g/mol
LogP1.28
Rot. Bonds

About 4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one

4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one (PubChem CID 59504541) has the molecular formula C9H9NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one
PubChem CID59504541
Molecular FormulaC9H9NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one
SMILES[2H]C1([2H])CC(=O)Nc2ccc(O)cc21
InChIInChI=1S/C9H9NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h2-3,5,11H,1,4H2,(H,10,12)/i1D2
InChIKeyHOSGXJWQVBHGLT-DICFDUPASA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82490641
6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737966
(2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid
CID 59763201
6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737991
(8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
CID 22967916
6-hydroxy-1,4-dihydro-3,1-benzoxazine-2-thione
CID 84768412
6-(4-hydroxyphenyl)-1,3-dihydroindol-2-one
CID 68878128
7-sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165333
7-(4-bromobutoxy)-4,4-dideuterio-1,3-dihydroquinolin-2-one
CID 59719020
6-(2,6-dichlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160665
6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160672

Frequently Asked Questions

What is the IUPAC name of 4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one?
The IUPAC name of 4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one (CID 59504541) is 4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one?
The canonical SMILES for 4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one is [2H]C1([2H])CC(=O)Nc2ccc(O)cc21.
What is the InChIKey of 4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one?
The InChIKey is HOSGXJWQVBHGLT-DICFDUPASA-N. The full InChI is InChI=1S/C9H9NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h2-3,5,11H,1,4H2,(H,10,12)/i1D2.
What are the key properties of 4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one?
4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one has a molecular weight of 165.19 g/mol, XLogP of 1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dideuterio-6-hydroxy-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 59504541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).