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

C24H19F3N4O — CID 11510392

IUPAC3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C24H19F3N4O/c1-13-6-7-16(22(32)30-20-5-3-4-19(14(20)2)24(25,26)27)11-18(13)15-8-9-21-17(10-15)12-29-23(28)31-21/h3-12H,1-2H3,(H,30,32)(H2,28,29,31)
InChIKeyDXLSIJUGUJXUIP-UHFFFAOYSA-N
MW436.44 g/mol
LogP5.77
Rot. Bonds3

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

3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 11510392) has the molecular formula C24H19F3N4O and a molecular weight of 436.44 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
PubChem CID11510392
Molecular FormulaC24H19F3N4O
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC Name3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C24H19F3N4O/c1-13-6-7-16(22(32)30-20-5-3-4-19(14(20)2)24(25,26)27)11-18(13)15-8-9-21-17(10-15)12-29-23(28)31-21/h3-12H,1-2H3,(H,30,32)(H2,28,29,31)
InChIKeyDXLSIJUGUJXUIP-UHFFFAOYSA-N
XLogP5.77
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide (CID 11510392) is 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DXLSIJUGUJXUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O/c1-13-6-7-16(22(32)30-20-5-3-4-19(14(20)2)24(25,26)27)11-18(13)15-8-9-21-17(10-15)12-29-23(28)31-21/h3-12H,1-2H3,(H,30,32)(H2,28,29,31).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide?
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 436.44 g/mol, XLogP of 5.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 11510392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).