2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide

C21H13F3N4O3 — CID 71273564

IUPAC2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide
SMILESNC(=O)c1ccccc1Oc1nc(-c2cccnc2)nc2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C21H13F3N4O3/c22-21(23,24)31-13-7-8-14-16(10-13)27-19(12-4-3-9-26-11-12)28-20(14)30-17-6-2-1-5-15(17)18(25)29/h1-11H,(H2,25,29)
InChIKeyYLEPKEDGHXPRKU-UHFFFAOYSA-N
MW426.35 g/mol
LogP4.48
Rot. Bonds5

About 2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide

2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide (PubChem CID 71273564) has the molecular formula C21H13F3N4O3 and a molecular weight of 426.35 g/mol. Its IUPAC name is 2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide.

Molecular Properties

Compound Name2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide
PubChem CID71273564
Molecular FormulaC21H13F3N4O3
Molecular Weight426.35 g/mol
Exact Mass426.09
IUPAC Name2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide
SMILESNC(=O)c1ccccc1Oc1nc(-c2cccnc2)nc2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C21H13F3N4O3/c22-21(23,24)31-13-7-8-14-16(10-13)27-19(12-4-3-9-26-11-12)28-20(14)30-17-6-2-1-5-15(17)18(25)29/h1-11H,(H2,25,29)
InChIKeyYLEPKEDGHXPRKU-UHFFFAOYSA-N
XLogP4.48
TPSA100.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide?
The IUPAC name of 2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide (CID 71273564) is 2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide.
What is the SMILES notation for 2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide?
The canonical SMILES for 2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide is NC(=O)c1ccccc1Oc1nc(-c2cccnc2)nc2cc(OC(F)(F)F)ccc12.
What is the InChIKey of 2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide?
The InChIKey is YLEPKEDGHXPRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O3/c22-21(23,24)31-13-7-8-14-16(10-13)27-19(12-4-3-9-26-11-12)28-20(14)30-17-6-2-1-5-15(17)18(25)29/h1-11H,(H2,25,29).
What are the key properties of 2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide?
2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide has a molecular weight of 426.35 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide is sourced from PubChem (CID 71273564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).