6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine

C37H25BrClN3O — CID 3590309

IUPAC6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine
SMILESCOc1ccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)c2-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C37H25BrClN3O/c1-43-28-16-14-27(15-17-28)40-37-36(35(24-10-6-3-7-11-24)31-20-25(38)12-18-33(31)42-37)34-22-29(23-8-4-2-5-9-23)30-21-26(39)13-19-32(30)41-34/h2-22H,1H3,(H,40,42)
InChIKeySNBFOJHXUOPHSC-UHFFFAOYSA-N
MW642.98 g/mol
LogP10.95
Rot. Bonds6

About 6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine

6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine (PubChem CID 3590309) has the molecular formula C37H25BrClN3O and a molecular weight of 642.98 g/mol. Its IUPAC name is 6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine
PubChem CID3590309
Molecular FormulaC37H25BrClN3O
Molecular Weight642.98 g/mol
Exact Mass641.09
IUPAC Name6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine
SMILESCOc1ccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)c2-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C37H25BrClN3O/c1-43-28-16-14-27(15-17-28)40-37-36(35(24-10-6-3-7-11-24)31-20-25(38)12-18-33(31)42-37)34-22-29(23-8-4-2-5-9-23)30-21-26(39)13-19-32(30)41-34/h2-22H,1H3,(H,40,42)
InChIKeySNBFOJHXUOPHSC-UHFFFAOYSA-N
XLogP10.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.98
LogP ≤ 510.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine?
The IUPAC name of 6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine (CID 3590309) is 6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine.
What is the SMILES notation for 6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine?
The canonical SMILES for 6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine is COc1ccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)c2-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine?
The InChIKey is SNBFOJHXUOPHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25BrClN3O/c1-43-28-16-14-27(15-17-28)40-37-36(35(24-10-6-3-7-11-24)31-20-25(38)12-18-33(31)42-37)34-22-29(23-8-4-2-5-9-23)30-21-26(39)13-19-32(30)41-34/h2-22H,1H3,(H,40,42).
What are the key properties of 6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine?
6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine has a molecular weight of 642.98 g/mol, XLogP of 10.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine is sourced from PubChem (CID 3590309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).