4-chloro-3-iodo-8-propoxyquinoline

C12H11ClINO — CID 102614030

IUPAC4-chloro-3-iodo-8-propoxyquinoline
SMILESCCCOc1cccc2c(Cl)c(I)cnc12
InChIInChI=1S/C12H11ClINO/c1-2-6-16-10-5-3-4-8-11(13)9(14)7-15-12(8)10/h3-5,7H,2,6H2,1H3
InChIKeyUECIYGZHHQSTMA-UHFFFAOYSA-N
MW347.58 g/mol
LogP4.28
Rot. Bonds3

About 4-chloro-3-iodo-8-propoxyquinoline

4-chloro-3-iodo-8-propoxyquinoline (PubChem CID 102614030) has the molecular formula C12H11ClINO and a molecular weight of 347.58 g/mol. Its IUPAC name is 4-chloro-3-iodo-8-propoxyquinoline.

Molecular Properties

Compound Name4-chloro-3-iodo-8-propoxyquinoline
PubChem CID102614030
Molecular FormulaC12H11ClINO
Molecular Weight347.58 g/mol
Exact Mass346.96
IUPAC Name4-chloro-3-iodo-8-propoxyquinoline
SMILESCCCOc1cccc2c(Cl)c(I)cnc12
InChIInChI=1S/C12H11ClINO/c1-2-6-16-10-5-3-4-8-11(13)9(14)7-15-12(8)10/h3-5,7H,2,6H2,1H3
InChIKeyUECIYGZHHQSTMA-UHFFFAOYSA-N
XLogP4.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.58
LogP ≤ 54.28
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-propoxyquinoline?
The IUPAC name of 4-chloro-3-iodo-8-propoxyquinoline (CID 102614030) is 4-chloro-3-iodo-8-propoxyquinoline.
What is the SMILES notation for 4-chloro-3-iodo-8-propoxyquinoline?
The canonical SMILES for 4-chloro-3-iodo-8-propoxyquinoline is CCCOc1cccc2c(Cl)c(I)cnc12.
What is the InChIKey of 4-chloro-3-iodo-8-propoxyquinoline?
The InChIKey is UECIYGZHHQSTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClINO/c1-2-6-16-10-5-3-4-8-11(13)9(14)7-15-12(8)10/h3-5,7H,2,6H2,1H3.
What are the key properties of 4-chloro-3-iodo-8-propoxyquinoline?
4-chloro-3-iodo-8-propoxyquinoline has a molecular weight of 347.58 g/mol, XLogP of 4.28, 3 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-propoxyquinoline is sourced from PubChem (CID 102614030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).