4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile

C22H13BrN2 — CID 39860393

IUPAC4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C22H13BrN2/c23-18-10-11-21-20(12-18)19(16-4-2-1-3-5-16)13-22(25-21)17-8-6-15(14-24)7-9-17/h1-13H
InChIKeySZWDATHFELJBPJ-UHFFFAOYSA-N
MW385.26 g/mol
LogP6.20
Rot. Bonds2

About 4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile

4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile (PubChem CID 39860393) has the molecular formula C22H13BrN2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile
PubChem CID39860393
Molecular FormulaC22H13BrN2
Molecular Weight385.26 g/mol
Exact Mass384.03
IUPAC Name4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C22H13BrN2/c23-18-10-11-21-20(12-18)19(16-4-2-1-3-5-16)13-22(25-21)17-8-6-15(14-24)7-9-17/h1-13H
InChIKeySZWDATHFELJBPJ-UHFFFAOYSA-N
XLogP6.20
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.26
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile?
The IUPAC name of 4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile (CID 39860393) is 4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile.
What is the SMILES notation for 4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile?
The canonical SMILES for 4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile is N#Cc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1.
What is the InChIKey of 4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile?
The InChIKey is SZWDATHFELJBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrN2/c23-18-10-11-21-20(12-18)19(16-4-2-1-3-5-16)13-22(25-21)17-8-6-15(14-24)7-9-17/h1-13H.
What are the key properties of 4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile?
4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile has a molecular weight of 385.26 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-4-phenylquinolin-2-yl)benzonitrile is sourced from PubChem (CID 39860393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).