6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one

C17H14BrNO — CID 107577436

IUPAC6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one
SMILESCc1cc2[nH]c(-c3ccccc3)cc(=O)c2c(C)c1Br
InChIInChI=1S/C17H14BrNO/c1-10-8-14-16(11(2)17(10)18)15(20)9-13(19-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,19,20)
InChIKeyLRHYWPNNRGUBOZ-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.57
Rot. Bonds1

About 6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one

6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one (PubChem CID 107577436) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one
PubChem CID107577436
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one
SMILESCc1cc2[nH]c(-c3ccccc3)cc(=O)c2c(C)c1Br
InChIInChI=1S/C17H14BrNO/c1-10-8-14-16(11(2)17(10)18)15(20)9-13(19-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,19,20)
InChIKeyLRHYWPNNRGUBOZ-UHFFFAOYSA-N
XLogP4.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one (CID 107577436) is 6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one is Cc1cc2[nH]c(-c3ccccc3)cc(=O)c2c(C)c1Br.
What is the InChIKey of 6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one?
The InChIKey is LRHYWPNNRGUBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-10-8-14-16(11(2)17(10)18)15(20)9-13(19-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,19,20).
What are the key properties of 6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one?
6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one has a molecular weight of 328.21 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,7-dimethyl-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 107577436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).