5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide

C26H24F3N5O2 — CID 58829945

IUPAC5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)CCOc1ccc(-c2ccc3nc(N)ncc3c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H24F3N5O2/c1-34(2)10-11-36-23-9-7-17(16-6-8-22-18(12-16)15-31-25(30)33-22)13-21(23)24(35)32-20-5-3-4-19(14-20)26(27,28)29/h3-9,12-15H,10-11H2,1-2H3,(H,32,35)(H2,30,31,33)
InChIKeyJHRTUMURWRQSEI-UHFFFAOYSA-N
MW495.51 g/mol
LogP5.09
Rot. Bonds7

About 5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide

5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 58829945) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID58829945
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Name5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)CCOc1ccc(-c2ccc3nc(N)ncc3c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H24F3N5O2/c1-34(2)10-11-36-23-9-7-17(16-6-8-22-18(12-16)15-31-25(30)33-22)13-21(23)24(35)32-20-5-3-4-19(14-20)26(27,28)29/h3-9,12-15H,10-11H2,1-2H3,(H,32,35)(H2,30,31,33)
InChIKeyJHRTUMURWRQSEI-UHFFFAOYSA-N
XLogP5.09
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 58829945) is 5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide is CN(C)CCOc1ccc(-c2ccc3nc(N)ncc3c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is JHRTUMURWRQSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-34(2)10-11-36-23-9-7-17(16-6-8-22-18(12-16)15-31-25(30)33-22)13-21(23)24(35)32-20-5-3-4-19(14-20)26(27,28)29/h3-9,12-15H,10-11H2,1-2H3,(H,32,35)(H2,30,31,33).
What are the key properties of 5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 495.51 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoquinazolin-6-yl)-2-[2-(dimethylamino)ethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58829945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).