4-bromo-2-quinolin-8-yloxybenzonitrile

C16H9BrN2O — CID 114902395

IUPAC4-bromo-2-quinolin-8-yloxybenzonitrile
SMILESN#Cc1ccc(Br)cc1Oc1cccc2cccnc12
InChIInChI=1S/C16H9BrN2O/c17-13-7-6-12(10-18)15(9-13)20-14-5-1-3-11-4-2-8-19-16(11)14/h1-9H
InChIKeyQVZDWHIAQVBOEK-UHFFFAOYSA-N
MW325.17 g/mol
LogP4.66
Rot. Bonds2

About 4-bromo-2-quinolin-8-yloxybenzonitrile

4-bromo-2-quinolin-8-yloxybenzonitrile (PubChem CID 114902395) has the molecular formula C16H9BrN2O and a molecular weight of 325.17 g/mol. Its IUPAC name is 4-bromo-2-quinolin-8-yloxybenzonitrile.

Molecular Properties

Compound Name4-bromo-2-quinolin-8-yloxybenzonitrile
PubChem CID114902395
Molecular FormulaC16H9BrN2O
Molecular Weight325.17 g/mol
Exact Mass323.99
IUPAC Name4-bromo-2-quinolin-8-yloxybenzonitrile
SMILESN#Cc1ccc(Br)cc1Oc1cccc2cccnc12
InChIInChI=1S/C16H9BrN2O/c17-13-7-6-12(10-18)15(9-13)20-14-5-1-3-11-4-2-8-19-16(11)14/h1-9H
InChIKeyQVZDWHIAQVBOEK-UHFFFAOYSA-N
XLogP4.66
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-quinolin-8-yloxybenzonitrile
CID 62493064
4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile
CID 114902377
4-bromo-2-naphthalen-2-yloxybenzonitrile
CID 114902376
4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile
CID 114902438
2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile
CID 81060623
4-bromo-2-(quinolin-8-ylmethylamino)benzonitrile
CID 114902063
4-bromo-2-(2-bromo-3-nitrophenoxy)benzonitrile
CID 114902541
4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile
CID 61177447
quinoline-8-carbonitrile;trihydrochloride
CID 141468212
4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 63094434
8-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline
CID 114837621
8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-quinolin-8-yloxybenzonitrile?
The IUPAC name of 4-bromo-2-quinolin-8-yloxybenzonitrile (CID 114902395) is 4-bromo-2-quinolin-8-yloxybenzonitrile.
What is the SMILES notation for 4-bromo-2-quinolin-8-yloxybenzonitrile?
The canonical SMILES for 4-bromo-2-quinolin-8-yloxybenzonitrile is N#Cc1ccc(Br)cc1Oc1cccc2cccnc12.
What is the InChIKey of 4-bromo-2-quinolin-8-yloxybenzonitrile?
The InChIKey is QVZDWHIAQVBOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN2O/c17-13-7-6-12(10-18)15(9-13)20-14-5-1-3-11-4-2-8-19-16(11)14/h1-9H.
What are the key properties of 4-bromo-2-quinolin-8-yloxybenzonitrile?
4-bromo-2-quinolin-8-yloxybenzonitrile has a molecular weight of 325.17 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-quinolin-8-yloxybenzonitrile is sourced from PubChem (CID 114902395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).