3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile

C20H18N2O3 — CID 89488521

IUPAC3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile
SMILESCCOc1ccc(COc2cn(C)c3c(C#N)cccc3c2=O)cc1
InChIInChI=1S/C20H18N2O3/c1-3-24-16-9-7-14(8-10-16)13-25-18-12-22(2)19-15(11-21)5-4-6-17(19)20(18)23/h4-10,12H,3,13H2,1-2H3
InChIKeyZNZQFLANEBURTM-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.39
Rot. Bonds5

About 3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile

3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile (PubChem CID 89488521) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile
PubChem CID89488521
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile
SMILESCCOc1ccc(COc2cn(C)c3c(C#N)cccc3c2=O)cc1
InChIInChI=1S/C20H18N2O3/c1-3-24-16-9-7-14(8-10-16)13-25-18-12-22(2)19-15(11-21)5-4-6-17(19)20(18)23/h4-10,12H,3,13H2,1-2H3
InChIKeyZNZQFLANEBURTM-UHFFFAOYSA-N
XLogP3.39
TPSA64.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile?
The IUPAC name of 3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile (CID 89488521) is 3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile?
The canonical SMILES for 3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile is CCOc1ccc(COc2cn(C)c3c(C#N)cccc3c2=O)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile?
The InChIKey is ZNZQFLANEBURTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-3-24-16-9-7-14(8-10-16)13-25-18-12-22(2)19-15(11-21)5-4-6-17(19)20(18)23/h4-10,12H,3,13H2,1-2H3.
What are the key properties of 3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile?
3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile is sourced from PubChem (CID 89488521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).