[6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol

C17H14F3N3O3 — CID 23569404

IUPAC[6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol
SMILESCOc1cc2c(Nc3ccccc3OC(F)(F)F)ncnc2cc1CO
InChIInChI=1S/C17H14F3N3O3/c1-25-15-7-11-13(6-10(15)8-24)21-9-22-16(11)23-12-4-2-3-5-14(12)26-17(18,19)20/h2-7,9,24H,8H2,1H3,(H,21,22,23)
InChIKeyUIVBGSHOFFRPAK-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.77
Rot. Bonds5

About [6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol

[6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol (PubChem CID 23569404) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is [6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol.

Molecular Properties

Compound Name[6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol
PubChem CID23569404
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name[6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol
SMILESCOc1cc2c(Nc3ccccc3OC(F)(F)F)ncnc2cc1CO
InChIInChI=1S/C17H14F3N3O3/c1-25-15-7-11-13(6-10(15)8-24)21-9-22-16(11)23-12-4-2-3-5-14(12)26-17(18,19)20/h2-7,9,24H,8H2,1H3,(H,21,22,23)
InChIKeyUIVBGSHOFFRPAK-UHFFFAOYSA-N
XLogP3.77
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol?
The IUPAC name of [6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol (CID 23569404) is [6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol.
What is the SMILES notation for [6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol?
The canonical SMILES for [6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol is COc1cc2c(Nc3ccccc3OC(F)(F)F)ncnc2cc1CO.
What is the InChIKey of [6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol?
The InChIKey is UIVBGSHOFFRPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-25-15-7-11-13(6-10(15)8-24)21-9-22-16(11)23-12-4-2-3-5-14(12)26-17(18,19)20/h2-7,9,24H,8H2,1H3,(H,21,22,23).
What are the key properties of [6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol?
[6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol has a molecular weight of 365.31 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-4-[2-(trifluoromethoxy)anilino]quinazolin-7-yl]methanol is sourced from PubChem (CID 23569404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).