(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate

C30H22BrNO2 — CID 17257947

IUPAC(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCc1cc(C)c2nc(-c3ccc(Br)cc3)cc(C(=O)Oc3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C30H22BrNO2/c1-19-16-20(2)29-26(17-19)27(18-28(32-29)23-8-12-24(31)13-9-23)30(33)34-25-14-10-22(11-15-25)21-6-4-3-5-7-21/h3-18H,1-2H3
InChIKeyDVQRVEYHCPPKKM-UHFFFAOYSA-N
MW508.42 g/mol
LogP8.17
Rot. Bonds4

About (4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate

(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate (PubChem CID 17257947) has the molecular formula C30H22BrNO2 and a molecular weight of 508.42 g/mol. Its IUPAC name is (4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate.

Molecular Properties

Compound Name(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
PubChem CID17257947
Molecular FormulaC30H22BrNO2
Molecular Weight508.42 g/mol
Exact Mass507.08
IUPAC Name(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCc1cc(C)c2nc(-c3ccc(Br)cc3)cc(C(=O)Oc3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C30H22BrNO2/c1-19-16-20(2)29-26(17-19)27(18-28(32-29)23-8-12-24(31)13-9-23)30(33)34-25-14-10-22(11-15-25)21-6-4-3-5-7-21/h3-18H,1-2H3
InChIKeyDVQRVEYHCPPKKM-UHFFFAOYSA-N
XLogP8.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.42
LogP ≤ 58.17
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-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648109
(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
(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-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261073
(4-tert-butylphenyl) 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648216
(3,4-dimethylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648206
(4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648192

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate?
The IUPAC name of (4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate (CID 17257947) is (4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate.
What is the SMILES notation for (4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate?
The canonical SMILES for (4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate is Cc1cc(C)c2nc(-c3ccc(Br)cc3)cc(C(=O)Oc3ccc(-c4ccccc4)cc3)c2c1.
What is the InChIKey of (4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate?
The InChIKey is DVQRVEYHCPPKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22BrNO2/c1-19-16-20(2)29-26(17-19)27(18-28(32-29)23-8-12-24(31)13-9-23)30(33)34-25-14-10-22(11-15-25)21-6-4-3-5-7-21/h3-18H,1-2H3.
What are the key properties of (4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate?
(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate has a molecular weight of 508.42 g/mol, XLogP of 8.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate is sourced from PubChem (CID 17257947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).