2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile

C18H14N2O2 — CID 855525

IUPAC2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile
SMILESCOc1ccc(Oc2nc3cc(C)ccc3cc2C#N)cc1
InChIInChI=1S/C18H14N2O2/c1-12-3-4-13-10-14(11-19)18(20-17(13)9-12)22-16-7-5-15(21-2)6-8-16/h3-10H,1-2H3
InChIKeyZBRGIYNURUCHMB-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.22
Rot. Bonds3

About 2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile

2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile (PubChem CID 855525) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile
PubChem CID855525
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile
SMILESCOc1ccc(Oc2nc3cc(C)ccc3cc2C#N)cc1
InChIInChI=1S/C18H14N2O2/c1-12-3-4-13-10-14(11-19)18(20-17(13)9-12)22-16-7-5-15(21-2)6-8-16/h3-10H,1-2H3
InChIKeyZBRGIYNURUCHMB-UHFFFAOYSA-N
XLogP4.22
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile?
The IUPAC name of 2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile (CID 855525) is 2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile.
What is the SMILES notation for 2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile?
The canonical SMILES for 2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile is COc1ccc(Oc2nc3cc(C)ccc3cc2C#N)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile?
The InChIKey is ZBRGIYNURUCHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-12-3-4-13-10-14(11-19)18(20-17(13)9-12)22-16-7-5-15(21-2)6-8-16/h3-10H,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile?
2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile has a molecular weight of 290.32 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile is sourced from PubChem (CID 855525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).