1H-quinazolin-2-one;2,2,2-trifluoroacetic acid

C10H7F3N2O3 — CID 23287557

IUPAC1H-quinazolin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=c1ncc2ccccc2[nH]1
InChIInChI=1S/C8H6N2O.C2HF3O2/c11-8-9-5-6-3-1-2-4-7(6)10-8;3-2(4,5)1(6)7/h1-5H,(H,9,10,11);(H,6,7)
InChIKeyGLXNCZIGYRWHBJ-UHFFFAOYSA-N
MW260.17 g/mol
LogP1.56
Rot. Bonds

About 1H-quinazolin-2-one;2,2,2-trifluoroacetic acid

1H-quinazolin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 23287557) has the molecular formula C10H7F3N2O3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 1H-quinazolin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1H-quinazolin-2-one;2,2,2-trifluoroacetic acid
PubChem CID23287557
Molecular FormulaC10H7F3N2O3
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Name1H-quinazolin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=c1ncc2ccccc2[nH]1
InChIInChI=1S/C8H6N2O.C2HF3O2/c11-8-9-5-6-3-1-2-4-7(6)10-8;3-2(4,5)1(6)7/h1-5H,(H,9,10,11);(H,6,7)
InChIKeyGLXNCZIGYRWHBJ-UHFFFAOYSA-N
XLogP1.56
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-quinazolin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1H-quinazolin-2-one;2,2,2-trifluoroacetic acid (CID 23287557) is 1H-quinazolin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1H-quinazolin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1H-quinazolin-2-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=c1ncc2ccccc2[nH]1.
What is the InChIKey of 1H-quinazolin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is GLXNCZIGYRWHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.C2HF3O2/c11-8-9-5-6-3-1-2-4-7(6)10-8;3-2(4,5)1(6)7/h1-5H,(H,9,10,11);(H,6,7).
What are the key properties of 1H-quinazolin-2-one;2,2,2-trifluoroacetic acid?
1H-quinazolin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 260.17 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-quinazolin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 23287557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).