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

C17H16BrNO — CID 53375543

IUPAC2-(4-bromophenyl)-6,6-dimethyl-7,8-dihydroquinolin-5-one
SMILESCC1(C)CCc2nc(-c3ccc(Br)cc3)ccc2C1=O
InChIInChI=1S/C17H16BrNO/c1-17(2)10-9-15-13(16(17)20)7-8-14(19-15)11-3-5-12(18)6-4-11/h3-8H,9-10H2,1-2H3
InChIKeyCEJUMBBSKHUKBQ-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.67
Rot. Bonds1

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

2-(4-bromophenyl)-6,6-dimethyl-7,8-dihydroquinolin-5-one (PubChem CID 53375543) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6,6-dimethyl-7,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-6,6-dimethyl-7,8-dihydroquinolin-5-one
PubChem CID53375543
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name2-(4-bromophenyl)-6,6-dimethyl-7,8-dihydroquinolin-5-one
SMILESCC1(C)CCc2nc(-c3ccc(Br)cc3)ccc2C1=O
InChIInChI=1S/C17H16BrNO/c1-17(2)10-9-15-13(16(17)20)7-8-14(19-15)11-3-5-12(18)6-4-11/h3-8H,9-10H2,1-2H3
InChIKeyCEJUMBBSKHUKBQ-UHFFFAOYSA-N
XLogP4.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6,6-dimethyl-7,8-dihydroquinolin-5-one?
The IUPAC name of 2-(4-bromophenyl)-6,6-dimethyl-7,8-dihydroquinolin-5-one (CID 53375543) is 2-(4-bromophenyl)-6,6-dimethyl-7,8-dihydroquinolin-5-one.
What is the SMILES notation for 2-(4-bromophenyl)-6,6-dimethyl-7,8-dihydroquinolin-5-one?
The canonical SMILES for 2-(4-bromophenyl)-6,6-dimethyl-7,8-dihydroquinolin-5-one is CC1(C)CCc2nc(-c3ccc(Br)cc3)ccc2C1=O.
What is the InChIKey of 2-(4-bromophenyl)-6,6-dimethyl-7,8-dihydroquinolin-5-one?
The InChIKey is CEJUMBBSKHUKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-17(2)10-9-15-13(16(17)20)7-8-14(19-15)11-3-5-12(18)6-4-11/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-6,6-dimethyl-7,8-dihydroquinolin-5-one?
2-(4-bromophenyl)-6,6-dimethyl-7,8-dihydroquinolin-5-one has a molecular weight of 330.23 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6,6-dimethyl-7,8-dihydroquinolin-5-one is sourced from PubChem (CID 53375543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).