6-bromo-3-iodo-1,4-dimethylquinolin-2-one

C11H9BrINO — CID 146585096

IUPAC6-bromo-3-iodo-1,4-dimethylquinolin-2-one
SMILESCc1c(I)c(=O)n(C)c2ccc(Br)cc12
InChIInChI=1S/C11H9BrINO/c1-6-8-5-7(12)3-4-9(8)14(2)11(15)10(6)13/h3-5H,1-2H3
InChIKeyIUJGGMVMMSHOBM-UHFFFAOYSA-N
MW378.01 g/mol
LogP3.21
Rot. Bonds

About 6-bromo-3-iodo-1,4-dimethylquinolin-2-one

6-bromo-3-iodo-1,4-dimethylquinolin-2-one (PubChem CID 146585096) has the molecular formula C11H9BrINO and a molecular weight of 378.01 g/mol. Its IUPAC name is 6-bromo-3-iodo-1,4-dimethylquinolin-2-one.

Molecular Properties

Compound Name6-bromo-3-iodo-1,4-dimethylquinolin-2-one
PubChem CID146585096
Molecular FormulaC11H9BrINO
Molecular Weight378.01 g/mol
Exact Mass376.89
IUPAC Name6-bromo-3-iodo-1,4-dimethylquinolin-2-one
SMILESCc1c(I)c(=O)n(C)c2ccc(Br)cc12
InChIInChI=1S/C11H9BrINO/c1-6-8-5-7(12)3-4-9(8)14(2)11(15)10(6)13/h3-5H,1-2H3
InChIKeyIUJGGMVMMSHOBM-UHFFFAOYSA-N
XLogP3.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.01
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83866982
(E)-3-(5-bromo-1,3-dimethylindol-2-yl)prop-2-enoic acid
CID 82502305
6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one
CID 132992766
6-bromo-1-methylquinolin-4-one
CID 1377385
6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
CID 117262431
8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one
CID 176916107
3-(aminomethyl)-6-bromo-1-methylquinoxalin-2-one
CID 117274808
3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one
CID 84623498
2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025396
9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole
CID 56673067
7-bromo-4-methylthieno[2,3-b]indole
CID 23210578
2-(5-bromo-1,2-dimethylindol-3-yl)acetamide
CID 82502196

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-iodo-1,4-dimethylquinolin-2-one?
The IUPAC name of 6-bromo-3-iodo-1,4-dimethylquinolin-2-one (CID 146585096) is 6-bromo-3-iodo-1,4-dimethylquinolin-2-one.
What is the SMILES notation for 6-bromo-3-iodo-1,4-dimethylquinolin-2-one?
The canonical SMILES for 6-bromo-3-iodo-1,4-dimethylquinolin-2-one is Cc1c(I)c(=O)n(C)c2ccc(Br)cc12.
What is the InChIKey of 6-bromo-3-iodo-1,4-dimethylquinolin-2-one?
The InChIKey is IUJGGMVMMSHOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrINO/c1-6-8-5-7(12)3-4-9(8)14(2)11(15)10(6)13/h3-5H,1-2H3.
What are the key properties of 6-bromo-3-iodo-1,4-dimethylquinolin-2-one?
6-bromo-3-iodo-1,4-dimethylquinolin-2-one has a molecular weight of 378.01 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-iodo-1,4-dimethylquinolin-2-one is sourced from PubChem (CID 146585096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).