N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide

C11H12F3N3O — CID 24827742

IUPACN-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C11H12F3N3O/c1-6(18)15-10-16-8-5-3-2-4-7(8)9(17-10)11(12,13)14/h2-5H2,1H3,(H,15,16,17,18)
InChIKeyXVBHQFLSRMMWKM-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.33
Rot. Bonds1

About N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide

N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide (PubChem CID 24827742) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide
PubChem CID24827742
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC NameN-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C11H12F3N3O/c1-6(18)15-10-16-8-5-3-2-4-7(8)9(17-10)11(12,13)14/h2-5H2,1H3,(H,15,16,17,18)
InChIKeyXVBHQFLSRMMWKM-UHFFFAOYSA-N
XLogP2.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide?
The IUPAC name of N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide (CID 24827742) is N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide.
What is the SMILES notation for N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide?
The canonical SMILES for N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide is CC(=O)Nc1nc2c(c(C(F)(F)F)n1)CCCC2.
What is the InChIKey of N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide?
The InChIKey is XVBHQFLSRMMWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c1-6(18)15-10-16-8-5-3-2-4-7(8)9(17-10)11(12,13)14/h2-5H2,1H3,(H,15,16,17,18).
What are the key properties of N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide?
N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide has a molecular weight of 259.23 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide is sourced from PubChem (CID 24827742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).