5-chloro-2-quinolin-8-yloxybenzonitrile

C16H9ClN2O — CID 62493064

IUPAC5-chloro-2-quinolin-8-yloxybenzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1cccc2cccnc12
InChIInChI=1S/C16H9ClN2O/c17-13-6-7-14(12(9-13)10-18)20-15-5-1-3-11-4-2-8-19-16(11)15/h1-9H
InChIKeyMPIHUSLBIDZCCP-UHFFFAOYSA-N
MW280.71 g/mol
LogP4.55
Rot. Bonds2

About 5-chloro-2-quinolin-8-yloxybenzonitrile

5-chloro-2-quinolin-8-yloxybenzonitrile (PubChem CID 62493064) has the molecular formula C16H9ClN2O and a molecular weight of 280.71 g/mol. Its IUPAC name is 5-chloro-2-quinolin-8-yloxybenzonitrile.

Molecular Properties

Compound Name5-chloro-2-quinolin-8-yloxybenzonitrile
PubChem CID62493064
Molecular FormulaC16H9ClN2O
Molecular Weight280.71 g/mol
Exact Mass280.04
IUPAC Name5-chloro-2-quinolin-8-yloxybenzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1cccc2cccnc12
InChIInChI=1S/C16H9ClN2O/c17-13-6-7-14(12(9-13)10-18)20-15-5-1-3-11-4-2-8-19-16(11)15/h1-9H
InChIKeyMPIHUSLBIDZCCP-UHFFFAOYSA-N
XLogP4.55
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 62493743
4-bromo-2-quinolin-8-yloxybenzonitrile
CID 114902395
8-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 114847000
4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 63094434
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile
CID 62493170
2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile
CID 81060623
8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline
CID 2289108
2-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397
4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile
CID 61177447
4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile
CID 114902377
quinoline-8-carbonitrile;trihydrochloride
CID 141468212

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-quinolin-8-yloxybenzonitrile?
The IUPAC name of 5-chloro-2-quinolin-8-yloxybenzonitrile (CID 62493064) is 5-chloro-2-quinolin-8-yloxybenzonitrile.
What is the SMILES notation for 5-chloro-2-quinolin-8-yloxybenzonitrile?
The canonical SMILES for 5-chloro-2-quinolin-8-yloxybenzonitrile is N#Cc1cc(Cl)ccc1Oc1cccc2cccnc12.
What is the InChIKey of 5-chloro-2-quinolin-8-yloxybenzonitrile?
The InChIKey is MPIHUSLBIDZCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O/c17-13-6-7-14(12(9-13)10-18)20-15-5-1-3-11-4-2-8-19-16(11)15/h1-9H.
What are the key properties of 5-chloro-2-quinolin-8-yloxybenzonitrile?
5-chloro-2-quinolin-8-yloxybenzonitrile has a molecular weight of 280.71 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-quinolin-8-yloxybenzonitrile is sourced from PubChem (CID 62493064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).