5-(1-iodoethyl)quinoline

C11H10IN — CID 130224458

IUPAC5-(1-iodoethyl)quinoline
SMILESCC(I)c1cccc2ncccc12
InChIInChI=1S/C11H10IN/c1-8(12)9-4-2-6-11-10(9)5-3-7-13-11/h2-8H,1H3
InChIKeyNJPCZQQRBXPVNU-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.73
Rot. Bonds1

About 5-(1-iodoethyl)quinoline

5-(1-iodoethyl)quinoline (PubChem CID 130224458) has the molecular formula C11H10IN and a molecular weight of 283.11 g/mol. Its IUPAC name is 5-(1-iodoethyl)quinoline.

Molecular Properties

Compound Name5-(1-iodoethyl)quinoline
PubChem CID130224458
Molecular FormulaC11H10IN
Molecular Weight283.11 g/mol
Exact Mass282.99
IUPAC Name5-(1-iodoethyl)quinoline
SMILESCC(I)c1cccc2ncccc12
InChIInChI=1S/C11H10IN/c1-8(12)9-4-2-6-11-10(9)5-3-7-13-11/h2-8H,1H3
InChIKeyNJPCZQQRBXPVNU-UHFFFAOYSA-N
XLogP3.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 158967293
CID 158967293
(1R)-1-quinolin-5-ylethanol
CID 86326294
(1R)-1-quinolin-5-ylethanamine
CID 55277010
4-methyl-1-quinolin-5-ylpentan-1-amine
CID 81232092
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020092
(2S,3R)-2-amino-3-quinolin-5-ylbutanenitrile
CID 129386383
2-methyl-1-quinolin-5-ylpentan-1-ol
CID 81216641
quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol
CID 115826290
(4-iodophenyl)-quinolin-5-ylmethanol
CID 115826358
N-propyl-3-quinolin-5-ylbutan-1-amine
CID 81223447

Frequently Asked Questions

What is the IUPAC name of 5-(1-iodoethyl)quinoline?
The IUPAC name of 5-(1-iodoethyl)quinoline (CID 130224458) is 5-(1-iodoethyl)quinoline.
What is the SMILES notation for 5-(1-iodoethyl)quinoline?
The canonical SMILES for 5-(1-iodoethyl)quinoline is CC(I)c1cccc2ncccc12.
What is the InChIKey of 5-(1-iodoethyl)quinoline?
The InChIKey is NJPCZQQRBXPVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN/c1-8(12)9-4-2-6-11-10(9)5-3-7-13-11/h2-8H,1H3.
What are the key properties of 5-(1-iodoethyl)quinoline?
5-(1-iodoethyl)quinoline has a molecular weight of 283.11 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-iodoethyl)quinoline is sourced from PubChem (CID 130224458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).