[4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol

C16H12F3N3O2 — CID 68628179

IUPAC[4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol
SMILESOCc1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2c1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)24-12-4-2-11(3-5-12)22-15-13-6-1-10(8-23)7-14(13)20-9-21-15/h1-7,9,23H,8H2,(H,20,21,22)
InChIKeyPNEJQHGSHAWGKX-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.76
Rot. Bonds4

About [4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol

[4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol (PubChem CID 68628179) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is [4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol.

Molecular Properties

Compound Name[4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol
PubChem CID68628179
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name[4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol
SMILESOCc1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2c1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)24-12-4-2-11(3-5-12)22-15-13-6-1-10(8-23)7-14(13)20-9-21-15/h1-7,9,23H,8H2,(H,20,21,22)
InChIKeyPNEJQHGSHAWGKX-UHFFFAOYSA-N
XLogP3.76
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol?
The IUPAC name of [4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol (CID 68628179) is [4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol.
What is the SMILES notation for [4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol?
The canonical SMILES for [4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol is OCc1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2c1.
What is the InChIKey of [4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol?
The InChIKey is PNEJQHGSHAWGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-16(18,19)24-12-4-2-11(3-5-12)22-15-13-6-1-10(8-23)7-14(13)20-9-21-15/h1-7,9,23H,8H2,(H,20,21,22).
What are the key properties of [4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol?
[4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol has a molecular weight of 335.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol is sourced from PubChem (CID 68628179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).