2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide

C22H14BrIN2O — CID 11663706

IUPAC2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(I)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C22H14BrIN2O/c23-16-8-6-14(7-9-16)18-11-10-17(24)13-19(18)22(27)26-20-5-1-3-15-4-2-12-25-21(15)20/h1-13H,(H,26,27)
InChIKeyMSDLYTFBIQXFAM-UHFFFAOYSA-N
MW529.18 g/mol
LogP6.52
Rot. Bonds3

About 2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide

2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide (PubChem CID 11663706) has the molecular formula C22H14BrIN2O and a molecular weight of 529.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide
PubChem CID11663706
Molecular FormulaC22H14BrIN2O
Molecular Weight529.18 g/mol
Exact Mass527.93
IUPAC Name2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(I)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C22H14BrIN2O/c23-16-8-6-14(7-9-16)18-11-10-17(24)13-19(18)22(27)26-20-5-1-3-15-4-2-12-25-21(15)20/h1-13H,(H,26,27)
InChIKeyMSDLYTFBIQXFAM-UHFFFAOYSA-N
XLogP6.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.18
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide?
The IUPAC name of 2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide (CID 11663706) is 2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1cc(I)ccc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide?
The InChIKey is MSDLYTFBIQXFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrIN2O/c23-16-8-6-14(7-9-16)18-11-10-17(24)13-19(18)22(27)26-20-5-1-3-15-4-2-12-25-21(15)20/h1-13H,(H,26,27).
What are the key properties of 2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide?
2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide has a molecular weight of 529.18 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-iodo-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 11663706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).