2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide

C26H23N5O4 — CID 21035003

IUPAC2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccccc1Oc1ccc(Nc2c(C#N)cnc3cc(N)c(OC)cc23)cc1
InChIInChI=1S/C26H23N5O4/c1-29-25(32)15-34-22-5-3-4-6-23(22)35-18-9-7-17(8-10-18)31-26-16(13-27)14-30-21-12-20(28)24(33-2)11-19(21)26/h3-12,14H,15,28H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyRICALGXDYXOLCR-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.36
Rot. Bonds8

About 2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide

2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide (PubChem CID 21035003) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide
PubChem CID21035003
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC Name2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccccc1Oc1ccc(Nc2c(C#N)cnc3cc(N)c(OC)cc23)cc1
InChIInChI=1S/C26H23N5O4/c1-29-25(32)15-34-22-5-3-4-6-23(22)35-18-9-7-17(8-10-18)31-26-16(13-27)14-30-21-12-20(28)24(33-2)11-19(21)26/h3-12,14H,15,28H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyRICALGXDYXOLCR-UHFFFAOYSA-N
XLogP4.36
TPSA131.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-cyano-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-7-carboxylic acid
CID 21035019
6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile
CID 142143779
6-methoxy-7-(methoxymethyl)-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 71211211
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
2-[3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]phenoxy]-N-cyclobutylacetamide
CID 142026555
7-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 58651257
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
CID 157321460
CID 157321460
6-amino-4-(4-phenylmethoxyanilino)-7-pyridin-4-yloxyquinoline-3-carbonitrile
CID 89496193
7-[3-(2,6-dimethylpiperidin-1-yl)-2-hydroxypropoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 21035052
2-(2-cyanophenoxy)-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 27901734

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide (CID 21035003) is 2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide is CNC(=O)COc1ccccc1Oc1ccc(Nc2c(C#N)cnc3cc(N)c(OC)cc23)cc1.
What is the InChIKey of 2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide?
The InChIKey is RICALGXDYXOLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-29-25(32)15-34-22-5-3-4-6-23(22)35-18-9-7-17(8-10-18)31-26-16(13-27)14-30-21-12-20(28)24(33-2)11-19(21)26/h3-12,14H,15,28H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of 2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide?
2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide has a molecular weight of 469.50 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(7-amino-3-cyano-6-methoxyquinolin-4-yl)amino]phenoxy]phenoxy]-N-methylacetamide is sourced from PubChem (CID 21035003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).