(2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate

C23H14BrCl2NO2 — CID 2435710

IUPAC(2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1Cl)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C23H14BrCl2NO2/c24-16-5-3-4-14(10-16)22-12-19(18-6-1-2-7-21(18)27-22)23(28)29-13-15-8-9-17(25)11-20(15)26/h1-12H,13H2
InChIKeyUQBRKANFOPITMC-UHFFFAOYSA-N
MW487.18 g/mol
LogP7.33
Rot. Bonds4

About (2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate

(2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate (PubChem CID 2435710) has the molecular formula C23H14BrCl2NO2 and a molecular weight of 487.18 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate
PubChem CID2435710
Molecular FormulaC23H14BrCl2NO2
Molecular Weight487.18 g/mol
Exact Mass484.96
IUPAC Name(2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1Cl)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C23H14BrCl2NO2/c24-16-5-3-4-14(10-16)22-12-19(18-6-1-2-7-21(18)27-22)23(28)29-13-15-8-9-17(25)11-20(15)26/h1-12H,13H2
InChIKeyUQBRKANFOPITMC-UHFFFAOYSA-N
XLogP7.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.18
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-1-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 3939151
(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 7701146
2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
CID 63462811
[2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate
CID 2129067
2-(3-bromophenyl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
CID 4278826
2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 26890699
2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852
2-(3-bromophenyl)-N-[8-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 4132785
naphthalen-1-ylmethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3964201
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate
CID 2364327
(2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 23940568
(2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2434662

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate?
The IUPAC name of (2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate (CID 2435710) is (2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate?
The canonical SMILES for (2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate is O=C(OCc1ccc(Cl)cc1Cl)c1cc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of (2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate?
The InChIKey is UQBRKANFOPITMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrCl2NO2/c24-16-5-3-4-14(10-16)22-12-19(18-6-1-2-7-21(18)27-22)23(28)29-13-15-8-9-17(25)11-20(15)26/h1-12H,13H2.
What are the key properties of (2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate?
(2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate has a molecular weight of 487.18 g/mol, XLogP of 7.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2435710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).