8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride

C14H6Cl3NOS — CID 46779517

IUPAC8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccc(Cl)s2)nc2c(Cl)cccc12
InChIInChI=1S/C14H6Cl3NOS/c15-9-3-1-2-7-8(14(17)19)6-10(18-13(7)9)11-4-5-12(16)20-11/h1-6H
InChIKeyJRHWGQHQUOGFSM-UHFFFAOYSA-N
MW342.63 g/mol
LogP5.65
Rot. Bonds2

About 8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride

8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride (PubChem CID 46779517) has the molecular formula C14H6Cl3NOS and a molecular weight of 342.63 g/mol. Its IUPAC name is 8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride
PubChem CID46779517
Molecular FormulaC14H6Cl3NOS
Molecular Weight342.63 g/mol
Exact Mass340.92
IUPAC Name8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccc(Cl)s2)nc2c(Cl)cccc12
InChIInChI=1S/C14H6Cl3NOS/c15-9-3-1-2-7-8(14(17)19)6-10(18-13(7)9)11-4-5-12(16)20-11/h1-6H
InChIKeyJRHWGQHQUOGFSM-UHFFFAOYSA-N
XLogP5.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.63
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride
CID 46779316
8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride
CID 46779481
7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4016668
8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779499
2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779249
6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 5024097
5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
CID 63462330
8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
CID 3853520
2-carbamoyl-8-chloroquinoline-4-carboxylic acid
CID 118172273
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid
CID 4503814
2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
CID 1219796

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride?
The IUPAC name of 8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride (CID 46779517) is 8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride.
What is the SMILES notation for 8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride?
The canonical SMILES for 8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride is O=C(Cl)c1cc(-c2ccc(Cl)s2)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride?
The InChIKey is JRHWGQHQUOGFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl3NOS/c15-9-3-1-2-7-8(14(17)19)6-10(18-13(7)9)11-4-5-12(16)20-11/h1-6H.
What are the key properties of 8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride?
8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride has a molecular weight of 342.63 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride is sourced from PubChem (CID 46779517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).