2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride

C15H9Cl2NOS — CID 46779316

IUPAC2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride
SMILESCc1cccc2c(C(=O)Cl)cc(-c3ccc(Cl)s3)nc12
InChIInChI=1S/C15H9Cl2NOS/c1-8-3-2-4-9-10(15(17)19)7-11(18-14(8)9)12-5-6-13(16)20-12/h2-7H,1H3
InChIKeyWMFFUTKKBVPZSI-UHFFFAOYSA-N
MW322.22 g/mol
LogP5.30
Rot. Bonds2

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

2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride (PubChem CID 46779316) has the molecular formula C15H9Cl2NOS and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride
PubChem CID46779316
Molecular FormulaC15H9Cl2NOS
Molecular Weight322.22 g/mol
Exact Mass320.98
IUPAC Name2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride
SMILESCc1cccc2c(C(=O)Cl)cc(-c3ccc(Cl)s3)nc12
InChIInChI=1S/C15H9Cl2NOS/c1-8-3-2-4-9-10(15(17)19)7-11(18-14(8)9)12-5-6-13(16)20-12/h2-7H,1H3
InChIKeyWMFFUTKKBVPZSI-UHFFFAOYSA-N
XLogP5.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.22
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride (CID 46779316) is 2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride is Cc1cccc2c(C(=O)Cl)cc(-c3ccc(Cl)s3)nc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride?
The InChIKey is WMFFUTKKBVPZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NOS/c1-8-3-2-4-9-10(15(17)19)7-11(18-14(8)9)12-5-6-13(16)20-12/h2-7H,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride?
2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride has a molecular weight of 322.22 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride is sourced from PubChem (CID 46779316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).