4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal

C13H11ClINO2 — CID 71517386

IUPAC4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal
SMILESO=CCCCOc1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/C13H11ClINO2/c14-10-8-11(15)13(18-7-2-1-6-17)12-9(10)4-3-5-16-12/h3-6,8H,1-2,7H2
InChIKeyRAAZZJYXPDCONV-UHFFFAOYSA-N
MW375.59 g/mol
LogP3.85
Rot. Bonds5

About 4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal

4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal (PubChem CID 71517386) has the molecular formula C13H11ClINO2 and a molecular weight of 375.59 g/mol. Its IUPAC name is 4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal.

Molecular Properties

Compound Name4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal
PubChem CID71517386
Molecular FormulaC13H11ClINO2
Molecular Weight375.59 g/mol
Exact Mass374.95
IUPAC Name4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal
SMILESO=CCCCOc1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/C13H11ClINO2/c14-10-8-11(15)13(18-7-2-1-6-17)12-9(10)4-3-5-16-12/h3-6,8H,1-2,7H2
InChIKeyRAAZZJYXPDCONV-UHFFFAOYSA-N
XLogP3.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.59
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
butyl 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 63416672
1-(5-chloro-7-iodoquinolin-8-yl)oxy-3,3-dimethylbutan-2-one
CID 24578624
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide
CID 71319984
8-[2-(bromomethyl)pentoxy]-5-chloro-7-iodoquinoline
CID 65010820
ethyl 2-(5-chloro-7-iodoquinolin-8-yl)oxy-2-fluoroacetate
CID 79356762
5,7-diiodo-8-propoxyquinoline
CID 100613865
5-chloro-7-iodoquinolin-8-olate
CID 149159528
gallium tris((5-chloro-7-iodoquinolin-8-yl)oxidanium)
CID 4532978
bis(5-chloro-7-iodoquinolin-8-ol);indium-111(3+)
CID 25009411
bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
CID 25009413
cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)
CID 72708331

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal?
The IUPAC name of 4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal (CID 71517386) is 4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal.
What is the SMILES notation for 4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal?
The canonical SMILES for 4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal is O=CCCCOc1c(I)cc(Cl)c2cccnc12.
What is the InChIKey of 4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal?
The InChIKey is RAAZZJYXPDCONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINO2/c14-10-8-11(15)13(18-7-2-1-6-17)12-9(10)4-3-5-16-12/h3-6,8H,1-2,7H2.
What are the key properties of 4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal?
4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal has a molecular weight of 375.59 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal is sourced from PubChem (CID 71517386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).