methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate

C22H18N4O3 — CID 122550232

IUPACmethyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(N(C)c3ncnc4ccccc34)cc2)nc1
InChIInChI=1S/C22H18N4O3/c1-26(21-18-5-3-4-6-19(18)24-14-25-21)16-8-10-17(11-9-16)29-20-12-7-15(13-23-20)22(27)28-2/h3-14H,1-2H3
InChIKeyGQAMEUHZRJQIJJ-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.37
Rot. Bonds5

About methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate

methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate (PubChem CID 122550232) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate
PubChem CID122550232
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Namemethyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(N(C)c3ncnc4ccccc34)cc2)nc1
InChIInChI=1S/C22H18N4O3/c1-26(21-18-5-3-4-6-19(18)24-14-25-21)16-8-10-17(11-9-16)29-20-12-7-15(13-23-20)22(27)28-2/h3-14H,1-2H3
InChIKeyGQAMEUHZRJQIJJ-UHFFFAOYSA-N
XLogP4.37
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate with MolForge

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Related Compounds

N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide
CID 122550258
2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone
CID 159797660
methyl 6-(4-methylphenoxy)pyridine-3-carboxylate
CID 123190451
N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide
CID 134186537
methyl 4-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate
CID 172907338
methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate
CID 70243352
methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate
CID 138986702
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
methyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 147220326
N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine
CID 134186489
methyl 2-phenoxypyrimidine-5-carboxylate
CID 68554907
methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate
CID 122550270

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate (CID 122550232) is methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate is COC(=O)c1ccc(Oc2ccc(N(C)c3ncnc4ccccc34)cc2)nc1.
What is the InChIKey of methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate?
The InChIKey is GQAMEUHZRJQIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-26(21-18-5-3-4-6-19(18)24-14-25-21)16-8-10-17(11-9-16)29-20-12-7-15(13-23-20)22(27)28-2/h3-14H,1-2H3.
What are the key properties of methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate?
methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate has a molecular weight of 386.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 122550232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).