(3S)-3-phenyl-1H-quinoline-2,4-dione

C15H11NO2 — CID 51552290

IUPAC(3S)-3-phenyl-1H-quinoline-2,4-dione
SMILESO=C1Nc2ccccc2C(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C15H11NO2/c17-14-11-8-4-5-9-12(11)16-15(18)13(14)10-6-2-1-3-7-10/h1-9,13H,(H,16,18)/t13-/m0/s1
InChIKeyIPYIJVQAAGLSKC-ZDUSSCGKSA-N
MW237.26 g/mol
LogP2.61
Rot. Bonds1

About (3S)-3-phenyl-1H-quinoline-2,4-dione

(3S)-3-phenyl-1H-quinoline-2,4-dione (PubChem CID 51552290) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (3S)-3-phenyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name(3S)-3-phenyl-1H-quinoline-2,4-dione
PubChem CID51552290
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name(3S)-3-phenyl-1H-quinoline-2,4-dione
SMILESO=C1Nc2ccccc2C(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C15H11NO2/c17-14-11-8-4-5-9-12(11)16-15(18)13(14)10-6-2-1-3-7-10/h1-9,13H,(H,16,18)/t13-/m0/s1
InChIKeyIPYIJVQAAGLSKC-ZDUSSCGKSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3S)-3-phenyl-1H-quinoline-2,4-dione 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

8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14617627
(3R)-3-(methylamino)-1H-quinoline-2,4-dione
CID 7260871
5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 805159
4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one
CID 3361368
9a,10-dihydroacridine-1,9-dione
CID 22923123
3-(4-aminophenyl)-1,3-dihydroindol-2-one
CID 118364316
(E)-carbamoyl-[[(3S)-2,4-dioxo-1H-quinolin-3-yl]methylidene]azanium
CID 171377140
3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione
CID 138115458
2-amino-1,2-dihydroindol-3-one;hydrochloride
CID 146048624
3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide
CID 18917698
5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 69455524
(2S)-3-methylimino-2-phenylinden-1-one
CID 124846160

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-1H-quinoline-2,4-dione?
The IUPAC name of (3S)-3-phenyl-1H-quinoline-2,4-dione (CID 51552290) is (3S)-3-phenyl-1H-quinoline-2,4-dione.
What is the SMILES notation for (3S)-3-phenyl-1H-quinoline-2,4-dione?
The canonical SMILES for (3S)-3-phenyl-1H-quinoline-2,4-dione is O=C1Nc2ccccc2C(=O)[C@@H]1c1ccccc1.
What is the InChIKey of (3S)-3-phenyl-1H-quinoline-2,4-dione?
The InChIKey is IPYIJVQAAGLSKC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H11NO2/c17-14-11-8-4-5-9-12(11)16-15(18)13(14)10-6-2-1-3-7-10/h1-9,13H,(H,16,18)/t13-/m0/s1.
What are the key properties of (3S)-3-phenyl-1H-quinoline-2,4-dione?
(3S)-3-phenyl-1H-quinoline-2,4-dione has a molecular weight of 237.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 51552290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).