2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate

C24H16Cl2FNO3 — CID 3321077

IUPAC2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESO=C(OCCOc1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C24H16Cl2FNO3/c25-16-7-10-23(20(26)13-16)30-11-12-31-24(29)19-14-22(15-5-8-17(27)9-6-15)28-21-4-2-1-3-18(19)21/h1-10,13-14H,11-12H2
InChIKeyNWLROVBLXCNNLH-UHFFFAOYSA-N
MW456.30 g/mol
LogP6.58
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate

2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate (PubChem CID 3321077) has the molecular formula C24H16Cl2FNO3 and a molecular weight of 456.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
PubChem CID3321077
Molecular FormulaC24H16Cl2FNO3
Molecular Weight456.30 g/mol
Exact Mass455.05
IUPAC Name2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESO=C(OCCOc1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C24H16Cl2FNO3/c25-16-7-10-23(20(26)13-16)30-11-12-31-24(29)19-14-22(15-5-8-17(27)9-6-15)28-21-4-2-1-3-18(19)21/h1-10,13-14H,11-12H2
InChIKeyNWLROVBLXCNNLH-UHFFFAOYSA-N
XLogP6.58
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.30
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 5239858
2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate
CID 4551994
(2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 23940568
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527
(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 7701146
naphthalen-1-ylmethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3964201
2-phenoxyethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 4562617
2-(4-chlorophenoxy)ethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 3916137
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2114772
4-chlorobutyl 2-phenylquinoline-4-carboxylate
CID 166607303
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 35832298
[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3353845

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
The IUPAC name of 2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate (CID 3321077) is 2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
The canonical SMILES for 2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate is O=C(OCCOc1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
The InChIKey is NWLROVBLXCNNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2FNO3/c25-16-7-10-23(20(26)13-16)30-11-12-31-24(29)19-14-22(15-5-8-17(27)9-6-15)28-21-4-2-1-3-18(19)21/h1-10,13-14H,11-12H2.
What are the key properties of 2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate has a molecular weight of 456.30 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 3321077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).