3-chloro-4-quinolin-5-yloxybenzonitrile

C16H9ClN2O — CID 103044737

IUPAC3-chloro-4-quinolin-5-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccc3ncccc23)c(Cl)c1
InChIInChI=1S/C16H9ClN2O/c17-13-9-11(10-18)6-7-16(13)20-15-5-1-4-14-12(15)3-2-8-19-14/h1-9H
InChIKeyRVICCEBJJUYGHQ-UHFFFAOYSA-N
MW280.71 g/mol
LogP4.55
Rot. Bonds2

About 3-chloro-4-quinolin-5-yloxybenzonitrile

3-chloro-4-quinolin-5-yloxybenzonitrile (PubChem CID 103044737) has the molecular formula C16H9ClN2O and a molecular weight of 280.71 g/mol. Its IUPAC name is 3-chloro-4-quinolin-5-yloxybenzonitrile.

Molecular Properties

Compound Name3-chloro-4-quinolin-5-yloxybenzonitrile
PubChem CID103044737
Molecular FormulaC16H9ClN2O
Molecular Weight280.71 g/mol
Exact Mass280.04
IUPAC Name3-chloro-4-quinolin-5-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccc3ncccc23)c(Cl)c1
InChIInChI=1S/C16H9ClN2O/c17-13-9-11(10-18)6-7-16(13)20-15-5-1-4-14-12(15)3-2-8-19-14/h1-9H
InChIKeyRVICCEBJJUYGHQ-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

3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile
CID 79230623
3-chloro-4-quinolin-4-yloxyaniline
CID 61341550
3-chloro-4-pyridin-3-yloxybenzonitrile
CID 63088061
3-chloro-4-(3-cyanophenoxy)benzonitrile
CID 55179484
5-[(2,6-dichloro-4-pyridinyl)oxy]quinoline
CID 151981623
6-quinolin-5-yloxypyridine-2-carbonitrile
CID 103044723
2-chloro-6-quinolin-5-yloxybenzaldehyde
CID 103045107
5-chloro-2-quinolin-5-yloxybenzaldehyde
CID 103045106
3-chloro-4-(2-nitrophenoxy)benzonitrile
CID 11708872
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
2-methyl-4-quinolin-5-yloxybenzonitrile
CID 103044749
4-chloro-2-quinolin-5-yloxybenzaldehyde
CID 103045115

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-quinolin-5-yloxybenzonitrile?
The IUPAC name of 3-chloro-4-quinolin-5-yloxybenzonitrile (CID 103044737) is 3-chloro-4-quinolin-5-yloxybenzonitrile.
What is the SMILES notation for 3-chloro-4-quinolin-5-yloxybenzonitrile?
The canonical SMILES for 3-chloro-4-quinolin-5-yloxybenzonitrile is N#Cc1ccc(Oc2cccc3ncccc23)c(Cl)c1.
What is the InChIKey of 3-chloro-4-quinolin-5-yloxybenzonitrile?
The InChIKey is RVICCEBJJUYGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O/c17-13-9-11(10-18)6-7-16(13)20-15-5-1-4-14-12(15)3-2-8-19-14/h1-9H.
What are the key properties of 3-chloro-4-quinolin-5-yloxybenzonitrile?
3-chloro-4-quinolin-5-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 3-chloro-4-quinolin-5-yloxybenzonitrile is sourced from PubChem (CID 103044737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).