(4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate

C24H18BrNO2 — CID 3837773

IUPAC(4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate
SMILESCc1ccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cccc23)cc1
InChIInChI=1S/C24H18BrNO2/c1-15-6-12-19(13-7-15)28-24(27)21-14-22(17-8-10-18(25)11-9-17)26-23-16(2)4-3-5-20(21)23/h3-14H,1-2H3
InChIKeyFKYXIIBKJHQRMT-UHFFFAOYSA-N
MW432.32 g/mol
LogP6.50
Rot. Bonds3

About (4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate

(4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate (PubChem CID 3837773) has the molecular formula C24H18BrNO2 and a molecular weight of 432.32 g/mol. Its IUPAC name is (4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate
PubChem CID3837773
Molecular FormulaC24H18BrNO2
Molecular Weight432.32 g/mol
Exact Mass431.05
IUPAC Name(4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate
SMILESCc1ccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cccc23)cc1
InChIInChI=1S/C24H18BrNO2/c1-15-6-12-19(13-7-15)28-24(27)21-14-22(17-8-10-18(25)11-9-17)26-23-16(2)4-3-5-20(21)23/h3-14H,1-2H3
InChIKeyFKYXIIBKJHQRMT-UHFFFAOYSA-N
XLogP6.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.32
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-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

(4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate
CID 5159721
(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17257947
(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648109
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648142
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246
8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 4746270
[(2R)-1-oxo-1-phenylbutan-2-yl] 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate
CID 41284542
(2,5-dimethylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261744
[2-(4-methylphenyl)-2-oxoethyl] 8-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylate
CID 3741388
(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648258
methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648155
(1-oxo-1-phenylpropan-2-yl) 2-(4-methoxyphenyl)-8-methylquinoline-4-carboxylate
CID 2906526

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate?
The IUPAC name of (4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate (CID 3837773) is (4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate.
What is the SMILES notation for (4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate?
The canonical SMILES for (4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate is Cc1ccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cccc23)cc1.
What is the InChIKey of (4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate?
The InChIKey is FKYXIIBKJHQRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrNO2/c1-15-6-12-19(13-7-15)28-24(27)21-14-22(17-8-10-18(25)11-9-17)26-23-16(2)4-3-5-20(21)23/h3-14H,1-2H3.
What are the key properties of (4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate?
(4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate has a molecular weight of 432.32 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate is sourced from PubChem (CID 3837773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).