6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile

C26H23N3O4 — CID 71211211

IUPAC6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
SMILESCOCc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4OC)cc3)c2cc1OC
InChIInChI=1S/C26H23N3O4/c1-30-16-17-12-22-21(13-25(17)32-3)26(18(14-27)15-28-22)29-19-8-10-20(11-9-19)33-24-7-5-4-6-23(24)31-2/h4-13,15H,16H2,1-3H3,(H,28,29)
InChIKeyNKKHZDNIEWYDTR-UHFFFAOYSA-N
MW441.49 g/mol
LogP5.81
Rot. Bonds8

About 6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile

6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile (PubChem CID 71211211) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
PubChem CID71211211
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
SMILESCOCc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4OC)cc3)c2cc1OC
InChIInChI=1S/C26H23N3O4/c1-30-16-17-12-22-21(13-25(17)32-3)26(18(14-27)15-28-22)29-19-8-10-20(11-9-19)33-24-7-5-4-6-23(24)31-2/h4-13,15H,16H2,1-3H3,(H,28,29)
InChIKeyNKKHZDNIEWYDTR-UHFFFAOYSA-N
XLogP5.81
TPSA85.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile with MolForge

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Related Compounds

6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile
CID 142143779
3-cyano-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-7-carboxylic acid
CID 21035019
2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide
CID 21035003
CID 157321460
CID 157321460
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055598
7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 21035063
7-[3-(2,6-dimethylpiperidin-1-yl)-2-hydroxypropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 21035052
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
7-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 58651257
7-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile;6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-[[(2S)-oxiran-2-yl]methoxy]quinoline-3-carbonitrile;pyrrolidine
CID 159524388
7-[3-[(1,1-dihydroxythiolan-3-yl)-methylamino]propoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 69255583
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile (CID 71211211) is 6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile is COCc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4OC)cc3)c2cc1OC.
What is the InChIKey of 6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile?
The InChIKey is NKKHZDNIEWYDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-30-16-17-12-22-21(13-25(17)32-3)26(18(14-27)15-28-22)29-19-8-10-20(11-9-19)33-24-7-5-4-6-23(24)31-2/h4-13,15H,16H2,1-3H3,(H,28,29).
What are the key properties of 6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile?
6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile has a molecular weight of 441.49 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile is sourced from PubChem (CID 71211211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).