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

C22H12BrCl2NO2 — CID 3271979

IUPAC(2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
SMILESO=C(Oc1cccc(Cl)c1Cl)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H12BrCl2NO2/c23-14-10-8-13(9-11-14)19-12-16(15-4-1-2-6-18(15)26-19)22(27)28-20-7-3-5-17(24)21(20)25/h1-12H
InChIKeyIAIFIOJFWDKGHF-UHFFFAOYSA-N
MW473.15 g/mol
LogP7.19
Rot. Bonds3

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

(2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate (PubChem CID 3271979) has the molecular formula C22H12BrCl2NO2 and a molecular weight of 473.15 g/mol. Its IUPAC name is (2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
PubChem CID3271979
Molecular FormulaC22H12BrCl2NO2
Molecular Weight473.15 g/mol
Exact Mass470.94
IUPAC Name(2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
SMILESO=C(Oc1cccc(Cl)c1Cl)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H12BrCl2NO2/c23-14-10-8-13(9-11-14)19-12-16(15-4-1-2-6-18(15)26-19)22(27)28-20-7-3-5-17(24)21(20)25/h1-12H
InChIKeyIAIFIOJFWDKGHF-UHFFFAOYSA-N
XLogP7.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.15
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,3-dichlorophenyl) 2-(4-bromophenyl)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

(2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
CID 2382181
(2,3-dichlorophenyl) 2-methylquinoline-4-carboxylate
CID 3940930
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
naphthalen-1-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 3939151
(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 1128700
(2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 1218453
(2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 19101104
(1-methoxy-1-oxopropan-2-yl) 2-(4-bromophenyl)quinoline-4-carboxylate
CID 16568800
2-phenoxyethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 4562617
(4-bromophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 2404179
pentyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 3819494
2-(4-bromophenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955905

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate?
The IUPAC name of (2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate (CID 3271979) is (2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate.
What is the SMILES notation for (2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate?
The canonical SMILES for (2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate is O=C(Oc1cccc(Cl)c1Cl)c1cc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of (2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate?
The InChIKey is IAIFIOJFWDKGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12BrCl2NO2/c23-14-10-8-13(9-11-14)19-12-16(15-4-1-2-6-18(15)26-19)22(27)28-20-7-3-5-17(24)21(20)25/h1-12H.
What are the key properties of (2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate?
(2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate has a molecular weight of 473.15 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 3271979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).