(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate

C24H18BrNO2 — CID 19648109

IUPAC(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
SMILESCc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Oc3ccc(Br)cc3)c2c1
InChIInChI=1S/C24H18BrNO2/c1-15-12-16(2)23-20(13-15)21(14-22(26-23)17-6-4-3-5-7-17)24(27)28-19-10-8-18(25)9-11-19/h3-14H,1-2H3
InChIKeyXJFZVZPINKIXIB-UHFFFAOYSA-N
MW432.32 g/mol
LogP6.50
Rot. Bonds3

About (4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate

(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate (PubChem CID 19648109) has the molecular formula C24H18BrNO2 and a molecular weight of 432.32 g/mol. Its IUPAC name is (4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
PubChem CID19648109
Molecular FormulaC24H18BrNO2
Molecular Weight432.32 g/mol
Exact Mass431.05
IUPAC Name(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
SMILESCc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Oc3ccc(Br)cc3)c2c1
InChIInChI=1S/C24H18BrNO2/c1-15-12-16(2)23-20(13-15)21(14-22(26-23)17-6-4-3-5-7-17)24(27)28-19-10-8-18(25)9-11-19/h3-14H,1-2H3
InChIKeyXJFZVZPINKIXIB-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'}

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Related Compounds

(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17257947
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648142
(4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate
CID 3837773
methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648155
(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261073
(2,5-dimethylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261744
ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261151
(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648258
(4-tert-butylphenyl) 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648216
6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477
(3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648301

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate?
The IUPAC name of (4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate (CID 19648109) is (4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate.
What is the SMILES notation for (4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate?
The canonical SMILES for (4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate is Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Oc3ccc(Br)cc3)c2c1.
What is the InChIKey of (4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate?
The InChIKey is XJFZVZPINKIXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrNO2/c1-15-12-16(2)23-20(13-15)21(14-22(26-23)17-6-4-3-5-7-17)24(27)28-19-10-8-18(25)9-11-19/h3-14H,1-2H3.
What are the key properties of (4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate?
(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-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-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 19648109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).