6-methoxy-1-propyl-2H-quinoline;hydroiodide

C13H18INO — CID 70449070

IUPAC6-methoxy-1-propyl-2H-quinoline;hydroiodide
SMILESCCCN1CC=Cc2cc(OC)ccc21.I
InChIInChI=1S/C13H17NO.HI/c1-3-8-14-9-4-5-11-10-12(15-2)6-7-13(11)14;/h4-7,10H,3,8-9H2,1-2H3;1H
InChIKeyLICLTGUHSXKNDQ-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.56
Rot. Bonds3

About 6-methoxy-1-propyl-2H-quinoline;hydroiodide

6-methoxy-1-propyl-2H-quinoline;hydroiodide (PubChem CID 70449070) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 6-methoxy-1-propyl-2H-quinoline;hydroiodide.

Molecular Properties

Compound Name6-methoxy-1-propyl-2H-quinoline;hydroiodide
PubChem CID70449070
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name6-methoxy-1-propyl-2H-quinoline;hydroiodide
SMILESCCCN1CC=Cc2cc(OC)ccc21.I
InChIInChI=1S/C13H17NO.HI/c1-3-8-14-9-4-5-11-10-12(15-2)6-7-13(11)14;/h4-7,10H,3,8-9H2,1-2H3;1H
InChIKeyLICLTGUHSXKNDQ-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-propyl-2H-quinoline;hydroiodide?
The IUPAC name of 6-methoxy-1-propyl-2H-quinoline;hydroiodide (CID 70449070) is 6-methoxy-1-propyl-2H-quinoline;hydroiodide.
What is the SMILES notation for 6-methoxy-1-propyl-2H-quinoline;hydroiodide?
The canonical SMILES for 6-methoxy-1-propyl-2H-quinoline;hydroiodide is CCCN1CC=Cc2cc(OC)ccc21.I.
What is the InChIKey of 6-methoxy-1-propyl-2H-quinoline;hydroiodide?
The InChIKey is LICLTGUHSXKNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.HI/c1-3-8-14-9-4-5-11-10-12(15-2)6-7-13(11)14;/h4-7,10H,3,8-9H2,1-2H3;1H.
What are the key properties of 6-methoxy-1-propyl-2H-quinoline;hydroiodide?
6-methoxy-1-propyl-2H-quinoline;hydroiodide has a molecular weight of 331.20 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-propyl-2H-quinoline;hydroiodide is sourced from PubChem (CID 70449070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).