7-[3-(Trifluoromethyl)-2-pyridinyl]-4-quinazolinol - CAS 573675-81-7
Catalog: |
BB057696 |
Product Name: |
7-[3-(Trifluoromethyl)-2-pyridinyl]-4-quinazolinol |
CAS: |
573675-81-7 |
Synonyms: |
7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinol; 7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-ol; 7-[3-(trifluoromethyl)pyridin-2-yl]-3H-quinazolin-4-one |
IUPAC Name: | 7-[3-(trifluoromethyl)pyridin-2-yl]-3H-quinazolin-4-one |
Description: | 7-[3-(Trifluoromethyl)-2-pyridinyl]-4-quinazolinol is useful research chemical compound used in the preparation of (arylamino)(pyridyl)quinazolines as hTRPV1 receptor antagonist. |
Molecular Weight: | 291.23 |
Molecular Formula: | C14H8F3N3O |
Canonical SMILES: | C1=CC(=C(N=C1)C2=CC3=C(C=C2)C(=O)NC=N3)C(F)(F)F |
InChI: | InChI=1S/C14H8F3N3O/c15-14(16,17)10-2-1-5-18-12(10)8-3-4-9-11(6-8)19-7-20-13(9)21/h1-7H,(H,19,20,21) |
InChI Key: | UHLXRHFEOHUNLZ-UHFFFAOYSA-N |
References: | Blum, C. A., et al. Bioorg. Med. Chem. Lett. 18, 16, 4573-77, (2008). |
Complexity: | 438 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.06194637 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.06194637 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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