4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile

C16H8BrClN2O — CID 114902377

IUPAC4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile
SMILESN#Cc1ccc(Br)cc1Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H8BrClN2O/c17-11-4-3-10(9-19)15(8-11)21-14-6-5-13(18)12-2-1-7-20-16(12)14/h1-8H
InChIKeyKHEJJCXTPXYNTO-UHFFFAOYSA-N
MW359.61 g/mol
LogP5.31
Rot. Bonds2

About 4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile

4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile (PubChem CID 114902377) has the molecular formula C16H8BrClN2O and a molecular weight of 359.61 g/mol. Its IUPAC name is 4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile
PubChem CID114902377
Molecular FormulaC16H8BrClN2O
Molecular Weight359.61 g/mol
Exact Mass357.95
IUPAC Name4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile
SMILESN#Cc1ccc(Br)cc1Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H8BrClN2O/c17-11-4-3-10(9-19)15(8-11)21-14-6-5-13(18)12-2-1-7-20-16(12)14/h1-8H
InChIKeyKHEJJCXTPXYNTO-UHFFFAOYSA-N
XLogP5.31
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.61
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-quinolin-8-yloxybenzonitrile
CID 114902395
3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
CID 107058861
2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile
CID 115499745
5-amino-2-(5-chloroquinolin-8-yl)oxypyridine-3-carbonitrile
CID 60923164
2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
CID 24701489
8-chloroquinoline-5-carbonitrile
CID 119084135
[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine
CID 82784965
4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile
CID 114902438
5-chloro-2-quinolin-8-yloxybenzonitrile
CID 62493064
CID 12945983
CID 12945983
(4-bromo-2-fluorophenyl)-(5-chloroquinolin-8-yl)oxy-(2-fluoro-3-pyridinyl)borane
CID 102496755
4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile
CID 2216428

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile?
The IUPAC name of 4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile (CID 114902377) is 4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile.
What is the SMILES notation for 4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile?
The canonical SMILES for 4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile is N#Cc1ccc(Br)cc1Oc1ccc(Cl)c2cccnc12.
What is the InChIKey of 4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile?
The InChIKey is KHEJJCXTPXYNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrClN2O/c17-11-4-3-10(9-19)15(8-11)21-14-6-5-13(18)12-2-1-7-20-16(12)14/h1-8H.
What are the key properties of 4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile?
4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile has a molecular weight of 359.61 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile is sourced from PubChem (CID 114902377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).