2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one

C23H19Br2NO — CID 71732800

IUPAC2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2c(-c3ccc(Br)cc3)cc(-c3ccc(Br)cc3)nc2C1
InChIInChI=1S/C23H19Br2NO/c1-23(2)12-20-22(21(27)13-23)18(14-3-7-16(24)8-4-14)11-19(26-20)15-5-9-17(25)10-6-15/h3-11H,12-13H2,1-2H3
InChIKeyOJAOVGXMYJSPES-UHFFFAOYSA-N
MW485.22 g/mol
LogP7.10
Rot. Bonds2

About 2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one

2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one (PubChem CID 71732800) has the molecular formula C23H19Br2NO and a molecular weight of 485.22 g/mol. Its IUPAC name is 2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one
PubChem CID71732800
Molecular FormulaC23H19Br2NO
Molecular Weight485.22 g/mol
Exact Mass482.98
IUPAC Name2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2c(-c3ccc(Br)cc3)cc(-c3ccc(Br)cc3)nc2C1
InChIInChI=1S/C23H19Br2NO/c1-23(2)12-20-22(21(27)13-23)18(14-3-7-16(24)8-4-14)11-19(26-20)15-5-9-17(25)10-6-15/h3-11H,12-13H2,1-2H3
InChIKeyOJAOVGXMYJSPES-UHFFFAOYSA-N
XLogP7.10
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.22
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The IUPAC name of 2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one (CID 71732800) is 2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one.
What is the SMILES notation for 2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The canonical SMILES for 2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one is CC1(C)CC(=O)c2c(-c3ccc(Br)cc3)cc(-c3ccc(Br)cc3)nc2C1.
What is the InChIKey of 2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The InChIKey is OJAOVGXMYJSPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Br2NO/c1-23(2)12-20-22(21(27)13-23)18(14-3-7-16(24)8-4-14)11-19(26-20)15-5-9-17(25)10-6-15/h3-11H,12-13H2,1-2H3.
What are the key properties of 2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one?
2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one has a molecular weight of 485.22 g/mol, XLogP of 7.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 71732800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).