4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

C22H20N4O4 — CID 54585373

IUPAC4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(Oc3cnc4ccccc4c3)n2)cc(OC)c1OC
InChIInChI=1S/C22H20N4O4/c1-27-18-11-15(12-19(28-2)21(18)29-3)25-22-23-9-8-20(26-22)30-16-10-14-6-4-5-7-17(14)24-13-16/h4-13H,1-3H3,(H,23,25,26)
InChIKeyPIARASAQARBJMG-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.59
Rot. Bonds7

About 4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (PubChem CID 54585373) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
PubChem CID54585373
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(Oc3cnc4ccccc4c3)n2)cc(OC)c1OC
InChIInChI=1S/C22H20N4O4/c1-27-18-11-15(12-19(28-2)21(18)29-3)25-22-23-9-8-20(26-22)30-16-10-14-6-4-5-7-17(14)24-13-16/h4-13H,1-3H3,(H,23,25,26)
InChIKeyPIARASAQARBJMG-UHFFFAOYSA-N
XLogP4.59
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

PQ-10
CID 11955614
2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine
CID 447815
Src Kinase Inhibitor I
CID 1474853
4-[(5,6-Dimethyl-2,2'-Bipyridin-3-Yl)oxy]-N-(3,4,5-Trimethoxyphenyl)pyridin-2-Amine
CID 44201376
4-Pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521016
4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521017
4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521018
6-methoxy-N-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330170
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330172
6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 5330462
N-1,3-benzodioxol-4-yl-7-methoxy-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine
CID 11974019

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (CID 54585373) is 4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is COc1cc(Nc2nccc(Oc3cnc4ccccc4c3)n2)cc(OC)c1OC.
What is the InChIKey of 4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is PIARASAQARBJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-27-18-11-15(12-19(28-2)21(18)29-3)25-22-23-9-8-20(26-22)30-16-10-14-6-4-5-7-17(14)24-13-16/h4-13H,1-3H3,(H,23,25,26).
What are the key properties of 4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 404.43 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 54585373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).