2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one

C24H24BrNO — CID 102037403

IUPAC2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one
SMILESCc1ccc(C2C=C(c3ccc(Br)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H24BrNO/c1-15-4-6-16(7-5-15)19-12-20(17-8-10-18(25)11-9-17)26-21-13-24(2,3)14-22(27)23(19)21/h4-12,19,26H,13-14H2,1-3H3
InChIKeyRHZDKNIISWVCLV-UHFFFAOYSA-N
MW422.37 g/mol
LogP6.13
Rot. Bonds2

About 2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one

2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one (PubChem CID 102037403) has the molecular formula C24H24BrNO and a molecular weight of 422.37 g/mol. Its IUPAC name is 2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one
PubChem CID102037403
Molecular FormulaC24H24BrNO
Molecular Weight422.37 g/mol
Exact Mass421.10
IUPAC Name2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one
SMILESCc1ccc(C2C=C(c3ccc(Br)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H24BrNO/c1-15-4-6-16(7-5-15)19-12-20(17-8-10-18(25)11-9-17)26-21-13-24(2,3)14-22(27)23(19)21/h4-12,19,26H,13-14H2,1-3H3
InChIKeyRHZDKNIISWVCLV-UHFFFAOYSA-N
XLogP6.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.37
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 54752337
CID 54752337
4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-2-carboxylic acid
CID 46906829
3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 985441
8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one
CID 3353892
2,7,7-trimethyl-4-phenyl-1,4,6,8-tetrahydroquinolin-5-one
CID 25194423
4-(4-bromophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 46242825
(6Z)-6-[(4-bromophenyl)methylidene]-2,4-bis(4-chlorophenyl)-7,7-dimethyl-4,8-dihydro-1H-quinolin-5-one
CID 139214414
4-(4-hydroxy-3-nitrophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one
CID 102037395
7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 17285700
4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one
CID 122202226
4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-2-carboxylic acid
CID 46906827
methyl (4S)-4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1099469

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one?
The IUPAC name of 2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one (CID 102037403) is 2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one.
What is the SMILES notation for 2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one?
The canonical SMILES for 2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one is Cc1ccc(C2C=C(c3ccc(Br)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one?
The InChIKey is RHZDKNIISWVCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO/c1-15-4-6-16(7-5-15)19-12-20(17-8-10-18(25)11-9-17)26-21-13-24(2,3)14-22(27)23(19)21/h4-12,19,26H,13-14H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one?
2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one has a molecular weight of 422.37 g/mol, XLogP of 6.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one is sourced from PubChem (CID 102037403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).