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

C25H21N3O3 — CID 142143779

IUPAC6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile
SMILESCOc1cc2c(Nc3ccc(Oc4ccccc4OC)cc3)c(C#N)cnc2cc1C
InChIInChI=1S/C25H21N3O3/c1-16-12-21-20(13-24(16)30-3)25(17(14-26)15-27-21)28-18-8-10-19(11-9-18)31-23-7-5-4-6-22(23)29-2/h4-13,15H,1-3H3,(H,27,28)
InChIKeyOOCCPQBGHAOMDP-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.97
Rot. Bonds6

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

6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile (PubChem CID 142143779) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile
PubChem CID142143779
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile
SMILESCOc1cc2c(Nc3ccc(Oc4ccccc4OC)cc3)c(C#N)cnc2cc1C
InChIInChI=1S/C25H21N3O3/c1-16-12-21-20(13-24(16)30-3)25(17(14-26)15-27-21)28-18-8-10-19(11-9-18)31-23-7-5-4-6-22(23)29-2/h4-13,15H,1-3H3,(H,27,28)
InChIKeyOOCCPQBGHAOMDP-UHFFFAOYSA-N
XLogP5.97
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 71211211
3-cyano-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-7-carboxylic acid
CID 21035019
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide
CID 21035003
7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 21035063
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055598
CID 157321460
CID 157321460
7-[3-(2,6-dimethylpiperidin-1-yl)-2-hydroxypropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 21035052
7-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 58651257
7-[3-[(1,1-dihydroxythiolan-3-yl)-methylamino]propoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 69255583
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 123132875

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile (CID 142143779) is 6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile is COc1cc2c(Nc3ccc(Oc4ccccc4OC)cc3)c(C#N)cnc2cc1C.
What is the InChIKey of 6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile?
The InChIKey is OOCCPQBGHAOMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-16-12-21-20(13-24(16)30-3)25(17(14-26)15-27-21)28-18-8-10-19(11-9-18)31-23-7-5-4-6-22(23)29-2/h4-13,15H,1-3H3,(H,27,28).
What are the key properties of 6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile?
6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile has a molecular weight of 411.46 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile is sourced from PubChem (CID 142143779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).