5,7-diiodo-8-propoxyquinoline

C12H11I2NO — CID 100613865

IUPAC5,7-diiodo-8-propoxyquinoline
SMILESCCCOc1c(I)cc(I)c2cccnc12
InChIInChI=1S/C12H11I2NO/c1-2-6-16-12-10(14)7-9(13)8-4-3-5-15-11(8)12/h3-5,7H,2,6H2,1H3
InChIKeyOBWOFESEOAPECV-UHFFFAOYSA-N
MW439.03 g/mol
LogP4.23
Rot. Bonds3

About 5,7-diiodo-8-propoxyquinoline

5,7-diiodo-8-propoxyquinoline (PubChem CID 100613865) has the molecular formula C12H11I2NO and a molecular weight of 439.03 g/mol. Its IUPAC name is 5,7-diiodo-8-propoxyquinoline.

Molecular Properties

Compound Name5,7-diiodo-8-propoxyquinoline
PubChem CID100613865
Molecular FormulaC12H11I2NO
Molecular Weight439.03 g/mol
Exact Mass438.89
IUPAC Name5,7-diiodo-8-propoxyquinoline
SMILESCCCOc1c(I)cc(I)c2cccnc12
InChIInChI=1S/C12H11I2NO/c1-2-6-16-12-10(14)7-9(13)8-4-3-5-15-11(8)12/h3-5,7H,2,6H2,1H3
InChIKeyOBWOFESEOAPECV-UHFFFAOYSA-N
XLogP4.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.03
LogP ≤ 54.23
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

3-iodo-2-propoxypyridine
CID 42553132
4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal
CID 71517386
butyl 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 63416672
7-tert-butyl-5-iodo-8-methoxyquinoline
CID 66771930
8-[2-(bromomethyl)pentoxy]-5-chloro-7-iodoquinoline
CID 65010820
7-bromo-8-propoxyquinoline
CID 100612692
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
1-(5-chloro-7-iodoquinolin-8-yl)oxy-3,3-dimethylbutan-2-one
CID 24578624
ethyl 2-(5-chloro-7-iodoquinolin-8-yl)oxy-2-fluoroacetate
CID 79356762
8-[(1-butyltetrazol-5-yl)methoxy]-5-chloro-7-iodoquinoline
CID 24578709
N-ethyl-8-propoxyquinolin-5-amine
CID 82264799
4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine
CID 62597073

Frequently Asked Questions

What is the IUPAC name of 5,7-diiodo-8-propoxyquinoline?
The IUPAC name of 5,7-diiodo-8-propoxyquinoline (CID 100613865) is 5,7-diiodo-8-propoxyquinoline.
What is the SMILES notation for 5,7-diiodo-8-propoxyquinoline?
The canonical SMILES for 5,7-diiodo-8-propoxyquinoline is CCCOc1c(I)cc(I)c2cccnc12.
What is the InChIKey of 5,7-diiodo-8-propoxyquinoline?
The InChIKey is OBWOFESEOAPECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11I2NO/c1-2-6-16-12-10(14)7-9(13)8-4-3-5-15-11(8)12/h3-5,7H,2,6H2,1H3.
What are the key properties of 5,7-diiodo-8-propoxyquinoline?
5,7-diiodo-8-propoxyquinoline has a molecular weight of 439.03 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diiodo-8-propoxyquinoline is sourced from PubChem (CID 100613865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).