5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile

C17H11ClN2O — CID 62493743

IUPAC5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
SMILESCc1ccc2cccc(Oc3ccc(Cl)cc3C#N)c2n1
InChIInChI=1S/C17H11ClN2O/c1-11-5-6-12-3-2-4-16(17(12)20-11)21-15-8-7-14(18)9-13(15)10-19/h2-9H,1H3
InChIKeyOYLQGNRMRZEVPO-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.86
Rot. Bonds2

About 5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile

5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile (PubChem CID 62493743) has the molecular formula C17H11ClN2O and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile.

Molecular Properties

Compound Name5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
PubChem CID62493743
Molecular FormulaC17H11ClN2O
Molecular Weight294.74 g/mol
Exact Mass294.06
IUPAC Name5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
SMILESCc1ccc2cccc(Oc3ccc(Cl)cc3C#N)c2n1
InChIInChI=1S/C17H11ClN2O/c1-11-5-6-12-3-2-4-16(17(12)20-11)21-15-8-7-14(18)9-13(15)10-19/h2-9H,1H3
InChIKeyOYLQGNRMRZEVPO-UHFFFAOYSA-N
XLogP4.86
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 63094434
5-chloro-2-quinolin-8-yloxybenzonitrile
CID 62493064
[5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine
CID 62493343
4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 63510997
2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile
CID 62493170
2-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397
6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile
CID 107545802
4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile
CID 63083316
8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2182613
8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline
CID 43352208
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855399

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile?
The IUPAC name of 5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile (CID 62493743) is 5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile.
What is the SMILES notation for 5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile?
The canonical SMILES for 5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile is Cc1ccc2cccc(Oc3ccc(Cl)cc3C#N)c2n1.
What is the InChIKey of 5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile?
The InChIKey is OYLQGNRMRZEVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O/c1-11-5-6-12-3-2-4-16(17(12)20-11)21-15-8-7-14(18)9-13(15)10-19/h2-9H,1H3.
What are the key properties of 5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile?
5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile has a molecular weight of 294.74 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile is sourced from PubChem (CID 62493743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).