4-bromo-3-iodo-7-methoxy-2-methylquinoline

C11H9BrINO — CID 121236808

IUPAC4-bromo-3-iodo-7-methoxy-2-methylquinoline
SMILESCOc1ccc2c(Br)c(I)c(C)nc2c1
InChIInChI=1S/C11H9BrINO/c1-6-11(13)10(12)8-4-3-7(15-2)5-9(8)14-6/h3-5H,1-2H3
InChIKeyKGPNZYXYSKVVBK-UHFFFAOYSA-N
MW378.01 g/mol
LogP3.92
Rot. Bonds1

About 4-bromo-3-iodo-7-methoxy-2-methylquinoline

4-bromo-3-iodo-7-methoxy-2-methylquinoline (PubChem CID 121236808) has the molecular formula C11H9BrINO and a molecular weight of 378.01 g/mol. Its IUPAC name is 4-bromo-3-iodo-7-methoxy-2-methylquinoline.

Molecular Properties

Compound Name4-bromo-3-iodo-7-methoxy-2-methylquinoline
PubChem CID121236808
Molecular FormulaC11H9BrINO
Molecular Weight378.01 g/mol
Exact Mass376.89
IUPAC Name4-bromo-3-iodo-7-methoxy-2-methylquinoline
SMILESCOc1ccc2c(Br)c(I)c(C)nc2c1
InChIInChI=1S/C11H9BrINO/c1-6-11(13)10(12)8-4-3-7(15-2)5-9(8)14-6/h3-5H,1-2H3
InChIKeyKGPNZYXYSKVVBK-UHFFFAOYSA-N
XLogP3.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.01
LogP ≤ 53.92
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

4-bromo-7-methoxy-2-methylquinoline
CID 11550580
3-iodo-6-methoxy-2-methylquinolin-4-amine
CID 121236710
7-methoxy-4-methylquinolin-2-amine
CID 53485904
7-methoxy-2,3-dimethylquinoline
CID 58717059
2-bromo-6-methoxy-4-methylquinazoline
CID 84804344
1-(7-methoxy-4-methylquinazolin-2-yl)ethanamine
CID 105471322
4-iodo-7-methoxy-2-phenylquinoline
CID 143031618
7-methoxy-N,4-dimethylquinolin-2-amine
CID 84619850
N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine
CID 658255
4-(2-aminoethyl)-7-methoxyquinazolin-2-amine
CID 105472495
7-methoxy-4-methylquinoline-2-carbonitrile
CID 82573251
7-methoxy-2-methylquinazoline-4-carbaldehyde
CID 105454201

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-iodo-7-methoxy-2-methylquinoline?
The IUPAC name of 4-bromo-3-iodo-7-methoxy-2-methylquinoline (CID 121236808) is 4-bromo-3-iodo-7-methoxy-2-methylquinoline.
What is the SMILES notation for 4-bromo-3-iodo-7-methoxy-2-methylquinoline?
The canonical SMILES for 4-bromo-3-iodo-7-methoxy-2-methylquinoline is COc1ccc2c(Br)c(I)c(C)nc2c1.
What is the InChIKey of 4-bromo-3-iodo-7-methoxy-2-methylquinoline?
The InChIKey is KGPNZYXYSKVVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrINO/c1-6-11(13)10(12)8-4-3-7(15-2)5-9(8)14-6/h3-5H,1-2H3.
What are the key properties of 4-bromo-3-iodo-7-methoxy-2-methylquinoline?
4-bromo-3-iodo-7-methoxy-2-methylquinoline has a molecular weight of 378.01 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-iodo-7-methoxy-2-methylquinoline is sourced from PubChem (CID 121236808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).