3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one

C21H15Cl2NOSe2 — CID 175068401

IUPAC3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one
SMILESO=C1c2ccccc2NCC1([Se]c1ccc(Cl)cc1)[Se]c1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl2NOSe2/c22-14-5-9-16(10-6-14)26-21(27-17-11-7-15(23)8-12-17)13-24-19-4-2-1-3-18(19)20(21)25/h1-12,24H,13H2
InChIKeyZNDZSTMEABQOJJ-UHFFFAOYSA-N
MW526.18 g/mol
LogP3.78
Rot. Bonds4

About 3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one

3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one (PubChem CID 175068401) has the molecular formula C21H15Cl2NOSe2 and a molecular weight of 526.18 g/mol. Its IUPAC name is 3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one.

Molecular Properties

Compound Name3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one
PubChem CID175068401
Molecular FormulaC21H15Cl2NOSe2
Molecular Weight526.18 g/mol
Exact Mass526.89
IUPAC Name3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one
SMILESO=C1c2ccccc2NCC1([Se]c1ccc(Cl)cc1)[Se]c1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl2NOSe2/c22-14-5-9-16(10-6-14)26-21(27-17-11-7-15(23)8-12-17)13-24-19-4-2-1-3-18(19)20(21)25/h1-12,24H,13H2
InChIKeyZNDZSTMEABQOJJ-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.18
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-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

(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
3-(3,5-dimethylphenyl)-4-oxo-1,2-dihydroquinoline-3-carboxamide
CID 174519781
8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one
CID 10263976
3-(4-chlorophenyl)-3-hydroxyazetidin-2-one
CID 169291636
(9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
CID 752307
(2S)-2-(chloromethyl)-3-(4-chlorophenyl)-2-methyl-1H-quinazolin-4-one
CID 6930585
9-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 13445632
1,2,3,4-tetrahydro-1,3-benzodiazepin-5-one
CID 121437311
2,3-dihydro-1H-quinolin-4-one;ethane
CID 91530065
3-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one;ethane
CID 142815954
magnesium;chlorobenzene;chloride
CID 22400294

Frequently Asked Questions

What is the IUPAC name of 3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one?
The IUPAC name of 3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one (CID 175068401) is 3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one.
What is the SMILES notation for 3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one?
The canonical SMILES for 3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one is O=C1c2ccccc2NCC1([Se]c1ccc(Cl)cc1)[Se]c1ccc(Cl)cc1.
What is the InChIKey of 3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one?
The InChIKey is ZNDZSTMEABQOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2NOSe2/c22-14-5-9-16(10-6-14)26-21(27-17-11-7-15(23)8-12-17)13-24-19-4-2-1-3-18(19)20(21)25/h1-12,24H,13H2.
What are the key properties of 3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one?
3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one has a molecular weight of 526.18 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[(4-chlorophenyl)selanyl]-1,2-dihydroquinolin-4-one is sourced from PubChem (CID 175068401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).