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

C17H11ClN2O — CID 63094434

IUPAC4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
SMILESCc1ccc2cccc(Oc3cc(Cl)ccc3C#N)c2n1
InChIInChI=1S/C17H11ClN2O/c1-11-5-6-12-3-2-4-15(17(12)20-11)21-16-9-14(18)8-7-13(16)10-19/h2-9H,1H3
InChIKeyNHEDVMNYUDVPKS-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.86
Rot. Bonds2

About 4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile

4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile (PubChem CID 63094434) has the molecular formula C17H11ClN2O and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
PubChem CID63094434
Molecular FormulaC17H11ClN2O
Molecular Weight294.74 g/mol
Exact Mass294.06
IUPAC Name4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
SMILESCc1ccc2cccc(Oc3cc(Cl)ccc3C#N)c2n1
InChIInChI=1S/C17H11ClN2O/c1-11-5-6-12-3-2-4-15(17(12)20-11)21-16-9-14(18)8-7-13(16)10-19/h2-9H,1H3
InChIKeyNHEDVMNYUDVPKS-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

5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 62493743
4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 63510997
[5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine
CID 62493343
5-chloro-2-quinolin-8-yloxybenzonitrile
CID 62493064
4-chloro-2-(2,3-dimethylphenoxy)benzonitrile
CID 63511378
4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile
CID 63083316
6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile
CID 107545802
2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile
CID 43352179
2-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397
8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline
CID 43352208
6-(2-methylquinolin-8-yl)oxypyridine-3-carbonitrile
CID 43244932
2-(4-amino-2,5-dimethylphenoxy)-4-chlorobenzonitrile
CID 55159990

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile?
The IUPAC name of 4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile (CID 63094434) is 4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile.
What is the SMILES notation for 4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile?
The canonical SMILES for 4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile is Cc1ccc2cccc(Oc3cc(Cl)ccc3C#N)c2n1.
What is the InChIKey of 4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile?
The InChIKey is NHEDVMNYUDVPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O/c1-11-5-6-12-3-2-4-15(17(12)20-11)21-16-9-14(18)8-7-13(16)10-19/h2-9H,1H3.
What are the key properties of 4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile?
4-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 4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile is sourced from PubChem (CID 63094434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).