2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline

C15H11Cl2NS — CID 80642666

IUPAC2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline
SMILESClc1ccsc1C(Cl)Cc1ccc2ccccc2n1
InChIInChI=1S/C15H11Cl2NS/c16-12-7-8-19-15(12)13(17)9-11-6-5-10-3-1-2-4-14(10)18-11/h1-8,13H,9H2
InChIKeyOEZLYNFNXVXMQQ-UHFFFAOYSA-N
MW308.23 g/mol
LogP5.47
Rot. Bonds3

About 2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline

2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline (PubChem CID 80642666) has the molecular formula C15H11Cl2NS and a molecular weight of 308.23 g/mol. Its IUPAC name is 2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline
PubChem CID80642666
Molecular FormulaC15H11Cl2NS
Molecular Weight308.23 g/mol
Exact Mass307.00
IUPAC Name2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline
SMILESClc1ccsc1C(Cl)Cc1ccc2ccccc2n1
InChIInChI=1S/C15H11Cl2NS/c16-12-7-8-19-15(12)13(17)9-11-6-5-10-3-1-2-4-14(10)18-11/h1-8,13H,9H2
InChIKeyOEZLYNFNXVXMQQ-UHFFFAOYSA-N
XLogP5.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.23
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol
CID 80642058
4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole
CID 114031537
2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]-1,3-benzoxazole
CID 80642429
2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline
CID 66460552
2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline
CID 81451336
2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline
CID 80538265
2-[2-chloro-2-(4-methylsulfanylphenyl)ethyl]quinoline
CID 79212762
2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline
CID 66460157
2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile
CID 135027760
2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline
CID 66459340
2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline
CID 66459957
1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol
CID 107967248

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline?
The IUPAC name of 2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline (CID 80642666) is 2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline.
What is the SMILES notation for 2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline?
The canonical SMILES for 2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline is Clc1ccsc1C(Cl)Cc1ccc2ccccc2n1.
What is the InChIKey of 2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline?
The InChIKey is OEZLYNFNXVXMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NS/c16-12-7-8-19-15(12)13(17)9-11-6-5-10-3-1-2-4-14(10)18-11/h1-8,13H,9H2.
What are the key properties of 2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline?
2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline has a molecular weight of 308.23 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline is sourced from PubChem (CID 80642666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).