methyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate

C21H15N3O3 — CID 1383405

IUPACmethyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C21H15N3O3/c1-26-21(25)15-6-8-16(9-7-15)27-20-17-4-2-3-5-18(17)23-19(24-20)14-10-12-22-13-11-14/h2-13H,1H3
InChIKeyMGOXQOLCMNHLEK-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.27
Rot. Bonds4

About methyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate

methyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate (PubChem CID 1383405) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is methyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate
PubChem CID1383405
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Namemethyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C21H15N3O3/c1-26-21(25)15-6-8-16(9-7-15)27-20-17-4-2-3-5-18(17)23-19(24-20)14-10-12-22-13-11-14/h2-13H,1H3
InChIKeyMGOXQOLCMNHLEK-UHFFFAOYSA-N
XLogP4.27
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate?
The IUPAC name of methyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate (CID 1383405) is methyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate.
What is the SMILES notation for methyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate?
The canonical SMILES for methyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate is COC(=O)c1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of methyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate?
The InChIKey is MGOXQOLCMNHLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c1-26-21(25)15-6-8-16(9-7-15)27-20-17-4-2-3-5-18(17)23-19(24-20)14-10-12-22-13-11-14/h2-13H,1H3.
What are the key properties of methyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate?
methyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate has a molecular weight of 357.37 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate is sourced from PubChem (CID 1383405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).