4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one

C23H21Cl2NO — CID 122202226

IUPAC4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)NC(c1ccccc1)=CC2c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H21Cl2NO/c1-23(2)12-20-22(21(27)13-23)17(16-9-8-15(24)10-18(16)25)11-19(26-20)14-6-4-3-5-7-14/h3-11,17,26H,12-13H2,1-2H3
InChIKeyZMBSCDYBWTWJNJ-UHFFFAOYSA-N
MW398.33 g/mol
LogP6.36
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one

4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one (PubChem CID 122202226) has the molecular formula C23H21Cl2NO and a molecular weight of 398.33 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one
PubChem CID122202226
Molecular FormulaC23H21Cl2NO
Molecular Weight398.33 g/mol
Exact Mass397.10
IUPAC Name4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)NC(c1ccccc1)=CC2c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H21Cl2NO/c1-23(2)12-20-22(21(27)13-23)17(16-9-8-15(24)10-18(16)25)11-19(26-20)14-6-4-3-5-7-14/h3-11,17,26H,12-13H2,1-2H3
InChIKeyZMBSCDYBWTWJNJ-UHFFFAOYSA-N
XLogP6.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.33
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one with MolForge

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Related Compounds

(6S)-6-(2,4-dichlorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 1002845
8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one
CID 3353892
4-(4-hydroxy-3-nitrophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one
CID 102037395
(9S)-9-(2,4-dichlorophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 1086582
2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 102037403
4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-2-carboxylic acid
CID 46906827
2-phenylethyl (4S)-4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 38990130
2,7,7-trimethyl-4-phenyl-1,4,6,8-tetrahydroquinolin-5-one
CID 25194423
9-(4-chloro-3-phenylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 22117821
methyl 4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 3103203
(4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266585
CID 54752337
CID 54752337

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one?
The IUPAC name of 4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one (CID 122202226) is 4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one?
The canonical SMILES for 4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one is CC1(C)CC(=O)C2=C(C1)NC(c1ccccc1)=CC2c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one?
The InChIKey is ZMBSCDYBWTWJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2NO/c1-23(2)12-20-22(21(27)13-23)17(16-9-8-15(24)10-18(16)25)11-19(26-20)14-6-4-3-5-7-14/h3-11,17,26H,12-13H2,1-2H3.
What are the key properties of 4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one?
4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one has a molecular weight of 398.33 g/mol, XLogP of 6.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one is sourced from PubChem (CID 122202226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).