3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide

C23H17F3N4O2 — CID 11647819

IUPAC3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C23H17F3N4O2/c1-13-2-3-15(21(31)29-17-5-7-18(8-6-17)32-23(24,25)26)11-19(13)14-4-9-20-16(10-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)
InChIKeyDFFPNHRQOZKTJM-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.34
Rot. Bonds4

About 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide

3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 11647819) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID11647819
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C23H17F3N4O2/c1-13-2-3-15(21(31)29-17-5-7-18(8-6-17)32-23(24,25)26)11-19(13)14-4-9-20-16(10-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)
InChIKeyDFFPNHRQOZKTJM-UHFFFAOYSA-N
XLogP5.34
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 11647819) is 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is DFFPNHRQOZKTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c1-13-2-3-15(21(31)29-17-5-7-18(8-6-17)32-23(24,25)26)11-19(13)14-4-9-20-16(10-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide?
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 438.41 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 11647819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).