2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline

C15H10Br2ClNS — CID 80538265

IUPAC2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline
SMILESClC(Cc1ccc2ccccc2n1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H10Br2ClNS/c16-11-8-14(20-15(11)17)12(18)7-10-6-5-9-3-1-2-4-13(9)19-10/h1-6,8,12H,7H2
InChIKeyPLXPIZQJJACCCX-UHFFFAOYSA-N
MW431.58 g/mol
LogP6.34
Rot. Bonds3

About 2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline

2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline (PubChem CID 80538265) has the molecular formula C15H10Br2ClNS and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline
PubChem CID80538265
Molecular FormulaC15H10Br2ClNS
Molecular Weight431.58 g/mol
Exact Mass428.86
IUPAC Name2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline
SMILESClC(Cc1ccc2ccccc2n1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H10Br2ClNS/c16-11-8-14(20-15(11)17)12(18)7-10-6-5-9-3-1-2-4-13(9)19-10/h1-6,8,12H,7H2
InChIKeyPLXPIZQJJACCCX-UHFFFAOYSA-N
XLogP6.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.34
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-(4,5-dibromothiophen-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

2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline
CID 66459340
2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline
CID 66460552
2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline
CID 66460157
2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline
CID 66459957
4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
CID 80538308
2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline
CID 80642666
4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole
CID 114031537
2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline
CID 81451336
1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine
CID 107989064
2-[2-chloro-2-(4-methylsulfanylphenyl)ethyl]quinoline
CID 79212762
2,3-dibromo-5-[1-chloro-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80534257
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-(4,5-dibromothiophen-2-yl)ethyl]quinoline?
The IUPAC name of 2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline (CID 80538265) is 2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline.
What is the SMILES notation for 2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline?
The canonical SMILES for 2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline is ClC(Cc1ccc2ccccc2n1)c1cc(Br)c(Br)s1.
What is the InChIKey of 2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline?
The InChIKey is PLXPIZQJJACCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClNS/c16-11-8-14(20-15(11)17)12(18)7-10-6-5-9-3-1-2-4-13(9)19-10/h1-6,8,12H,7H2.
What are the key properties of 2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline?
2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline has a molecular weight of 431.58 g/mol, XLogP of 6.34, 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-(4,5-dibromothiophen-2-yl)ethyl]quinoline is sourced from PubChem (CID 80538265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).