[2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone

C28H18Br2N2O — CID 164676614

IUPAC[2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone
SMILESNc1ccccc1-c1nc2ccccc2c(C(=O)c2ccc(Br)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C28H18Br2N2O/c29-19-13-9-17(10-14-19)25-26(28(33)18-11-15-20(30)16-12-18)22-6-2-4-8-24(22)32-27(25)21-5-1-3-7-23(21)31/h1-16H,31H2
InChIKeyJGHFRTODCQTNQF-UHFFFAOYSA-N
MW558.27 g/mol
LogP7.91
Rot. Bonds4

About [2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone

[2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone (PubChem CID 164676614) has the molecular formula C28H18Br2N2O and a molecular weight of 558.27 g/mol. Its IUPAC name is [2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone.

Molecular Properties

Compound Name[2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone
PubChem CID164676614
Molecular FormulaC28H18Br2N2O
Molecular Weight558.27 g/mol
Exact Mass555.98
IUPAC Name[2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone
SMILESNc1ccccc1-c1nc2ccccc2c(C(=O)c2ccc(Br)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C28H18Br2N2O/c29-19-13-9-17(10-14-19)25-26(28(33)18-11-15-20(30)16-12-18)22-6-2-4-8-24(22)32-27(25)21-5-1-3-7-23(21)31/h1-16H,31H2
InChIKeyJGHFRTODCQTNQF-UHFFFAOYSA-N
XLogP7.91
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.27
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone?
The IUPAC name of [2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone (CID 164676614) is [2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone.
What is the SMILES notation for [2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone?
The canonical SMILES for [2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone is Nc1ccccc1-c1nc2ccccc2c(C(=O)c2ccc(Br)cc2)c1-c1ccc(Br)cc1.
What is the InChIKey of [2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone?
The InChIKey is JGHFRTODCQTNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18Br2N2O/c29-19-13-9-17(10-14-19)25-26(28(33)18-11-15-20(30)16-12-18)22-6-2-4-8-24(22)32-27(25)21-5-1-3-7-23(21)31/h1-16H,31H2.
What are the key properties of [2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone?
[2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone has a molecular weight of 558.27 g/mol, XLogP of 7.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone is sourced from PubChem (CID 164676614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).