6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride

C15H9BrClNO2 — CID 46779262

IUPAC6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride
SMILESCc1ccc(-c2cc(C(=O)Cl)c3cc(Br)ccc3n2)o1
InChIInChI=1S/C15H9BrClNO2/c1-8-2-5-14(20-8)13-7-11(15(17)19)10-6-9(16)3-4-12(10)18-13/h2-7H,1H3
InChIKeyVZERTSYNEYUFST-UHFFFAOYSA-N
MW350.60 g/mol
LogP4.94
Rot. Bonds2

About 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride

6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride (PubChem CID 46779262) has the molecular formula C15H9BrClNO2 and a molecular weight of 350.60 g/mol. Its IUPAC name is 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride
PubChem CID46779262
Molecular FormulaC15H9BrClNO2
Molecular Weight350.60 g/mol
Exact Mass348.95
IUPAC Name6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride
SMILESCc1ccc(-c2cc(C(=O)Cl)c3cc(Br)ccc3n2)o1
InChIInChI=1S/C15H9BrClNO2/c1-8-2-5-14(20-8)13-7-11(15(17)19)10-6-9(16)3-4-12(10)18-13/h2-7H,1H3
InChIKeyVZERTSYNEYUFST-UHFFFAOYSA-N
XLogP4.94
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 54.94
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

6-bromo-2-(5-methylfuran-2-yl)-N-[2-(trimethylazaniumyl)ethyl]quinoline-4-carboximidate
CID 46201015
potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 23688647
6-bromo-2-(4-ethylphenyl)quinoline-4-carbonyl chloride
CID 46779263
6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride
CID 46779275
6-bromo-2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779265
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
[2-(4-bromophenyl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 5114690
2-[5-(3-bromophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
CID 4093975
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
2-(3-bromophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4008929
ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate
CID 1379341
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride?
The IUPAC name of 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride (CID 46779262) is 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride.
What is the SMILES notation for 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride?
The canonical SMILES for 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride is Cc1ccc(-c2cc(C(=O)Cl)c3cc(Br)ccc3n2)o1.
What is the InChIKey of 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride?
The InChIKey is VZERTSYNEYUFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO2/c1-8-2-5-14(20-8)13-7-11(15(17)19)10-6-9(16)3-4-12(10)18-13/h2-7H,1H3.
What are the key properties of 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride?
6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride has a molecular weight of 350.60 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride is sourced from PubChem (CID 46779262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).