7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one

C11H9BrINO — CID 121237111

IUPAC7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(C)c(Br)ccc2c(=O)c1I
InChIInChI=1S/C11H9BrINO/c1-5-8(12)4-3-7-10(5)14-6(2)9(13)11(7)15/h3-4H,1-2H3,(H,14,15)
InChIKeyRFNWGKFBZURELE-UHFFFAOYSA-N
MW378.01 g/mol
LogP3.51
Rot. Bonds

About 7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one

7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one (PubChem CID 121237111) has the molecular formula C11H9BrINO and a molecular weight of 378.01 g/mol. Its IUPAC name is 7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one
PubChem CID121237111
Molecular FormulaC11H9BrINO
Molecular Weight378.01 g/mol
Exact Mass376.89
IUPAC Name7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(C)c(Br)ccc2c(=O)c1I
InChIInChI=1S/C11H9BrINO/c1-5-8(12)4-3-7-10(5)14-6(2)9(13)11(7)15/h3-4H,1-2H3,(H,14,15)
InChIKeyRFNWGKFBZURELE-UHFFFAOYSA-N
XLogP3.51
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.01
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one?
The IUPAC name of 7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one (CID 121237111) is 7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one is Cc1[nH]c2c(C)c(Br)ccc2c(=O)c1I.
What is the InChIKey of 7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one?
The InChIKey is RFNWGKFBZURELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrINO/c1-5-8(12)4-3-7-10(5)14-6(2)9(13)11(7)15/h3-4H,1-2H3,(H,14,15).
What are the key properties of 7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one?
7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one has a molecular weight of 378.01 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 121237111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).