4-chloro-3-iodo-8-methoxy-5-methylquinoline

C11H9ClINO — CID 102614076

IUPAC4-chloro-3-iodo-8-methoxy-5-methylquinoline
SMILESCOc1ccc(C)c2c(Cl)c(I)cnc12
InChIInChI=1S/C11H9ClINO/c1-6-3-4-8(15-2)11-9(6)10(12)7(13)5-14-11/h3-5H,1-2H3
InChIKeyNHZFUIMVMAWIMC-UHFFFAOYSA-N
MW333.56 g/mol
LogP3.81
Rot. Bonds1

About 4-chloro-3-iodo-8-methoxy-5-methylquinoline

4-chloro-3-iodo-8-methoxy-5-methylquinoline (PubChem CID 102614076) has the molecular formula C11H9ClINO and a molecular weight of 333.56 g/mol. Its IUPAC name is 4-chloro-3-iodo-8-methoxy-5-methylquinoline.

Molecular Properties

Compound Name4-chloro-3-iodo-8-methoxy-5-methylquinoline
PubChem CID102614076
Molecular FormulaC11H9ClINO
Molecular Weight333.56 g/mol
Exact Mass332.94
IUPAC Name4-chloro-3-iodo-8-methoxy-5-methylquinoline
SMILESCOc1ccc(C)c2c(Cl)c(I)cnc12
InChIInChI=1S/C11H9ClINO/c1-6-3-4-8(15-2)11-9(6)10(12)7(13)5-14-11/h3-5H,1-2H3
InChIKeyNHZFUIMVMAWIMC-UHFFFAOYSA-N
XLogP3.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-8-methoxy-5-methylquinoline?
The IUPAC name of 4-chloro-3-iodo-8-methoxy-5-methylquinoline (CID 102614076) is 4-chloro-3-iodo-8-methoxy-5-methylquinoline.
What is the SMILES notation for 4-chloro-3-iodo-8-methoxy-5-methylquinoline?
The canonical SMILES for 4-chloro-3-iodo-8-methoxy-5-methylquinoline is COc1ccc(C)c2c(Cl)c(I)cnc12.
What is the InChIKey of 4-chloro-3-iodo-8-methoxy-5-methylquinoline?
The InChIKey is NHZFUIMVMAWIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClINO/c1-6-3-4-8(15-2)11-9(6)10(12)7(13)5-14-11/h3-5H,1-2H3.
What are the key properties of 4-chloro-3-iodo-8-methoxy-5-methylquinoline?
4-chloro-3-iodo-8-methoxy-5-methylquinoline has a molecular weight of 333.56 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-8-methoxy-5-methylquinoline is sourced from PubChem (CID 102614076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).