2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride

C15H10ClNOS — CID 46779249

IUPAC2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride
SMILESCc1ccc(-c2cc(C(=O)Cl)c3ccccc3n2)s1
InChIInChI=1S/C15H10ClNOS/c1-9-6-7-14(19-9)13-8-11(15(16)18)10-4-2-3-5-12(10)17-13/h2-8H,1H3
InChIKeyKYQCZMFNTYBWOP-UHFFFAOYSA-N
MW287.77 g/mol
LogP4.65
Rot. Bonds2

About 2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride

2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride (PubChem CID 46779249) has the molecular formula C15H10ClNOS and a molecular weight of 287.77 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride
PubChem CID46779249
Molecular FormulaC15H10ClNOS
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC Name2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride
SMILESCc1ccc(-c2cc(C(=O)Cl)c3ccccc3n2)s1
InChIInChI=1S/C15H10ClNOS/c1-9-6-7-14(19-9)13-8-11(15(16)18)10-4-2-3-5-12(10)17-13/h2-8H,1H3
InChIKeyKYQCZMFNTYBWOP-UHFFFAOYSA-N
XLogP4.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 54.65
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-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 4137703
2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
CID 19685073
N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1009474
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4167956
2-naphthalen-1-ylquinoline-4-carbonyl chloride
CID 91689267
(4-benzhydrylpiperazin-1-yl)-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
CID 1010741
2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride
CID 10730852
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 5207442
2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride
CID 46779248
N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1261953
N-(2-chloro-4-nitrophenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4591737
(4-benzhydrylpiperazin-4-ium-1-yl)-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
CID 4748948

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride?
The IUPAC name of 2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride (CID 46779249) is 2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride?
The canonical SMILES for 2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride is Cc1ccc(-c2cc(C(=O)Cl)c3ccccc3n2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride?
The InChIKey is KYQCZMFNTYBWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS/c1-9-6-7-14(19-9)13-8-11(15(16)18)10-4-2-3-5-12(10)17-13/h2-8H,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride?
2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride has a molecular weight of 287.77 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride is sourced from PubChem (CID 46779249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).