potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate

C15H9ClKNO3 — CID 23688647

IUPACpotassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)o1.[K+]
InChIInChI=1S/C15H10ClNO3.K/c1-8-2-5-14(20-8)13-7-11(15(18)19)10-6-9(16)3-4-12(10)17-13;/h2-7H,1H3,(H,18,19);/q;+1/p-1
InChIKeyIOZODLUOZKZDSY-UHFFFAOYSA-M
MW325.79 g/mol
LogP-0.18
Rot. Bonds2

About potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate

potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate (PubChem CID 23688647) has the molecular formula C15H9ClKNO3 and a molecular weight of 325.79 g/mol. Its IUPAC name is potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Namepotassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate
PubChem CID23688647
Molecular FormulaC15H9ClKNO3
Molecular Weight325.79 g/mol
Exact Mass324.99
IUPAC Namepotassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)o1.[K+]
InChIInChI=1S/C15H10ClNO3.K/c1-8-2-5-14(20-8)13-7-11(15(18)19)10-6-9(16)3-4-12(10)17-13;/h2-7H,1H3,(H,18,19);/q;+1/p-1
InChIKeyIOZODLUOZKZDSY-UHFFFAOYSA-M
XLogP-0.18
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate 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

6-chloro-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylate
CID 2025545
6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carbonyl chloride
CID 46779262
2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
CID 2147629
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate
CID 7172625
2-[5-(3-bromophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
CID 4093975
[2-(4-chlorophenyl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4271505
potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate
CID 23686843
2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
CID 5133898
2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 5239858
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265

Frequently Asked Questions

What is the IUPAC name of potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The IUPAC name of potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate (CID 23688647) is potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The canonical SMILES for potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)o1.[K+].
What is the InChIKey of potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The InChIKey is IOZODLUOZKZDSY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H10ClNO3.K/c1-8-2-5-14(20-8)13-7-11(15(18)19)10-6-9(16)3-4-12(10)17-13;/h2-7H,1H3,(H,18,19);/q;+1/p-1.
What are the key properties of potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate has a molecular weight of 325.79 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 23688647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).