4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide

C21H14F3N5O — CID 25057485

IUPAC4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2ncnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)cc23)cc1
InChIInChI=1S/C21H14F3N5O/c22-21(23,24)16-8-14(9-27-19(16)25)13-5-6-17-15(7-13)18(29-10-28-17)11-1-3-12(4-2-11)20(26)30/h1-10H,(H2,25,27)(H2,26,30)
InChIKeyAGFLIDXLNBLGGA-UHFFFAOYSA-N
MW409.37 g/mol
LogP4.06
Rot. Bonds3

About 4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide

4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide (PubChem CID 25057485) has the molecular formula C21H14F3N5O and a molecular weight of 409.37 g/mol. Its IUPAC name is 4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide.

Molecular Properties

Compound Name4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide
PubChem CID25057485
Molecular FormulaC21H14F3N5O
Molecular Weight409.37 g/mol
Exact Mass409.12
IUPAC Name4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2ncnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)cc23)cc1
InChIInChI=1S/C21H14F3N5O/c22-21(23,24)16-8-14(9-27-19(16)25)13-5-6-17-15(7-13)18(29-10-28-17)11-1-3-12(4-2-11)20(26)30/h1-10H,(H2,25,27)(H2,26,30)
InChIKeyAGFLIDXLNBLGGA-UHFFFAOYSA-N
XLogP4.06
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide?
The IUPAC name of 4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide (CID 25057485) is 4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide.
What is the SMILES notation for 4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide?
The canonical SMILES for 4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide is NC(=O)c1ccc(-c2ncnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)cc23)cc1.
What is the InChIKey of 4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide?
The InChIKey is AGFLIDXLNBLGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O/c22-21(23,24)16-8-14(9-27-19(16)25)13-5-6-17-15(7-13)18(29-10-28-17)11-1-3-12(4-2-11)20(26)30/h1-10H,(H2,25,27)(H2,26,30).
What are the key properties of 4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide?
4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide has a molecular weight of 409.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide is sourced from PubChem (CID 25057485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).