2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

C23H17Cl2NO4 — CID 5239858

IUPAC2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCCOc3ccc(Cl)cc3Cl)c3ccccc3n2)o1
InChIInChI=1S/C23H17Cl2NO4/c1-14-6-8-22(30-14)20-13-17(16-4-2-3-5-19(16)26-20)23(27)29-11-10-28-21-9-7-15(24)12-18(21)25/h2-9,12-13H,10-11H2,1H3
InChIKeyKTKKZWXBZCBJFG-UHFFFAOYSA-N
MW442.30 g/mol
LogP6.35
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate (PubChem CID 5239858) has the molecular formula C23H17Cl2NO4 and a molecular weight of 442.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
PubChem CID5239858
Molecular FormulaC23H17Cl2NO4
Molecular Weight442.30 g/mol
Exact Mass441.05
IUPAC Name2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCCOc3ccc(Cl)cc3Cl)c3ccccc3n2)o1
InChIInChI=1S/C23H17Cl2NO4/c1-14-6-8-22(30-14)20-13-17(16-4-2-3-5-19(16)26-20)23(27)29-11-10-28-21-9-7-15(24)12-18(21)25/h2-9,12-13H,10-11H2,1H3
InChIKeyKTKKZWXBZCBJFG-UHFFFAOYSA-N
XLogP6.35
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.30
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,4-dichlorophenoxy)ethyl 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

2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3321077
[2-(4-chlorophenyl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4271505
2-(3-bromophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4008929
2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate
CID 4551994
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
2-(4-chlorophenoxy)ethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 3916137
[2-(4-bromophenyl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 5114690
2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate
CID 7351431
(2-oxo-2-thiophen-2-ylethyl) 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 2575744
[2-(1-methylpyrrol-2-yl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 31100397
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4031723
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 2635528

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The IUPAC name of 2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate (CID 5239858) is 2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The canonical SMILES for 2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)OCCOc3ccc(Cl)cc3Cl)c3ccccc3n2)o1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The InChIKey is KTKKZWXBZCBJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2NO4/c1-14-6-8-22(30-14)20-13-17(16-4-2-3-5-19(16)26-20)23(27)29-11-10-28-21-9-7-15(24)12-18(21)25/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate has a molecular weight of 442.30 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 5239858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).