2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline

C17H13ClIN — CID 66460157

IUPAC2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline
SMILESClC(Cc1ccc2ccccc2n1)c1cccc(I)c1
InChIInChI=1S/C17H13ClIN/c18-16(13-5-3-6-14(19)10-13)11-15-9-8-12-4-1-2-7-17(12)20-15/h1-10,16H,11H2
InChIKeyIVVSYGCLBQXTTM-UHFFFAOYSA-N
MW393.66 g/mol
LogP5.36
Rot. Bonds3

About 2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline

2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline (PubChem CID 66460157) has the molecular formula C17H13ClIN and a molecular weight of 393.66 g/mol. Its IUPAC name is 2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline
PubChem CID66460157
Molecular FormulaC17H13ClIN
Molecular Weight393.66 g/mol
Exact Mass392.98
IUPAC Name2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline
SMILESClC(Cc1ccc2ccccc2n1)c1cccc(I)c1
InChIInChI=1S/C17H13ClIN/c18-16(13-5-3-6-14(19)10-13)11-15-9-8-12-4-1-2-7-17(12)20-15/h1-10,16H,11H2
InChIKeyIVVSYGCLBQXTTM-UHFFFAOYSA-N
XLogP5.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.66
LogP ≤ 55.36
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

2-[2-chloro-2-(4-methylsulfanylphenyl)ethyl]quinoline
CID 79212762
2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline
CID 80538265
2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline
CID 81451336
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline
CID 80642666
2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline
CID 66461440
2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline
CID 66460552
2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline
CID 66459340
[1-(3-chlorophenyl)-2-quinolin-2-ylethyl]hydrazine
CID 105194577
2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline
CID 66459957
4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole
CID 114031537
2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline
CID 160845478

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline?
The IUPAC name of 2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline (CID 66460157) is 2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline.
What is the SMILES notation for 2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline?
The canonical SMILES for 2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline is ClC(Cc1ccc2ccccc2n1)c1cccc(I)c1.
What is the InChIKey of 2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline?
The InChIKey is IVVSYGCLBQXTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClIN/c18-16(13-5-3-6-14(19)10-13)11-15-9-8-12-4-1-2-7-17(12)20-15/h1-10,16H,11H2.
What are the key properties of 2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline?
2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline has a molecular weight of 393.66 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline is sourced from PubChem (CID 66460157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).