5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide

C26H16Br2N2O2 — CID 3098585

IUPAC5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1)c1ccc(Br)o1
InChIInChI=1S/C26H16Br2N2O2/c27-18-8-11-22-21(14-18)20(16-4-2-1-3-5-16)15-23(30-22)17-6-9-19(10-7-17)29-26(31)24-12-13-25(28)32-24/h1-15H,(H,29,31)
InChIKeyZLQLYYGCAOPLHE-UHFFFAOYSA-N
MW548.23 g/mol
LogP7.94
Rot. Bonds4

About 5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide

5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide (PubChem CID 3098585) has the molecular formula C26H16Br2N2O2 and a molecular weight of 548.23 g/mol. Its IUPAC name is 5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide
PubChem CID3098585
Molecular FormulaC26H16Br2N2O2
Molecular Weight548.23 g/mol
Exact Mass545.96
IUPAC Name5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1)c1ccc(Br)o1
InChIInChI=1S/C26H16Br2N2O2/c27-18-8-11-22-21(14-18)20(16-4-2-1-3-5-16)15-23(30-22)17-6-9-19(10-7-17)29-26(31)24-12-13-25(28)32-24/h1-15H,(H,29,31)
InChIKeyZLQLYYGCAOPLHE-UHFFFAOYSA-N
XLogP7.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.23
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3110691
N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide
CID 1264811
5-bromo-N-(2-phenylphenyl)furan-2-carboxamide
CID 2183264
5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 60729952
5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide
CID 3406026
5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 51135396
5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide
CID 46334471
5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 1333568
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407187

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide (CID 3098585) is 5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is ZLQLYYGCAOPLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Br2N2O2/c27-18-8-11-22-21(14-18)20(16-4-2-1-3-5-16)15-23(30-22)17-6-9-19(10-7-17)29-26(31)24-12-13-25(28)32-24/h1-15H,(H,29,31).
What are the key properties of 5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 548.23 g/mol, XLogP of 7.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 3098585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).