10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione

C30H23ClINO2 — CID 24774092

IUPAC10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(I)cc1)C1=C(C(=O)c3ccccc31)C2c1ccc(Cl)cc1
InChIInChI=1S/C30H23ClINO2/c1-30(2)15-23-26(24(34)16-30)25(17-7-9-18(31)10-8-17)27-28(21-5-3-4-6-22(21)29(27)35)33(23)20-13-11-19(32)12-14-20/h3-14,25H,15-16H2,1-2H3
InChIKeyFICNACPLNOCIED-UHFFFAOYSA-N
MW591.88 g/mol
LogP7.80
Rot. Bonds2

About 10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione

10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 24774092) has the molecular formula C30H23ClINO2 and a molecular weight of 591.88 g/mol. Its IUPAC name is 10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID24774092
Molecular FormulaC30H23ClINO2
Molecular Weight591.88 g/mol
Exact Mass591.05
IUPAC Name10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(I)cc1)C1=C(C(=O)c3ccccc31)C2c1ccc(Cl)cc1
InChIInChI=1S/C30H23ClINO2/c1-30(2)15-23-26(24(34)16-30)25(17-7-9-18(31)10-8-17)27-28(21-5-3-4-6-22(21)29(27)35)33(23)20-13-11-19(32)12-14-20/h3-14,25H,15-16H2,1-2H3
InChIKeyFICNACPLNOCIED-UHFFFAOYSA-N
XLogP7.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.88
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-(4-chlorophenyl)-3,3,6,6-tetramethyl-9-(4-nitrophenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 46197195
tert-butyl 10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-1,9-dioxo-4,6,8,10-tetrahydro-3H-benzo[b][1,6]naphthyridine-2-carboxylate
CID 122402150
10-(4-bromophenyl)-16-(4-chlorophenyl)-13-oxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15)-pentaene-8,12-dione
CID 44541729
10-(4-chlorophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 3430314
dimethyl 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-2,3-dicarboxylate
CID 56925513
(10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 1286614
(3E)-1-(4-chlorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-2-imino-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-quinolin-5-one
CID 135593131
10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 22333794
10-(4-bromophenyl)-2-(4-chlorophenyl)-8,8-dimethyl-5-(4-methylphenyl)-1,2,3,5,7,9-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 56837255
methyl 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylate
CID 3411934
5-amino-8-(4-chlorophenyl)-11,11-dimethyl-9-oxo-10,12-dihydro-8H-quinolino[1,2-a]quinazoline-7-carbonitrile
CID 3429442
10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 42645874

Frequently Asked Questions

What is the IUPAC name of 10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione (CID 24774092) is 10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione is CC1(C)CC(=O)C2=C(C1)N(c1ccc(I)cc1)C1=C(C(=O)c3ccccc31)C2c1ccc(Cl)cc1.
What is the InChIKey of 10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is FICNACPLNOCIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClINO2/c1-30(2)15-23-26(24(34)16-30)25(17-7-9-18(31)10-8-17)27-28(21-5-3-4-6-22(21)29(27)35)33(23)20-13-11-19(32)12-14-20/h3-14,25H,15-16H2,1-2H3.
What are the key properties of 10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione?
10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 591.88 g/mol, XLogP of 7.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 24774092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).