4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol

C19H15FN4O2 — CID 169231230

IUPAC4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3F)c2cc1O
InChIInChI=1S/C19H15FN4O2/c1-24-9-13(19(23-24)11-5-3-4-6-14(11)20)18-12-7-16(25)17(26-2)8-15(12)21-10-22-18/h3-10,25H,1-2H3
InChIKeyBFKXLECDZYVGLZ-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.55
Rot. Bonds3

About 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol

4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol (PubChem CID 169231230) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol
PubChem CID169231230
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3F)c2cc1O
InChIInChI=1S/C19H15FN4O2/c1-24-9-13(19(23-24)11-5-3-4-6-14(11)20)18-12-7-16(25)17(26-2)8-15(12)21-10-22-18/h3-10,25H,1-2H3
InChIKeyBFKXLECDZYVGLZ-UHFFFAOYSA-N
XLogP3.55
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol?
The IUPAC name of 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol (CID 169231230) is 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol.
What is the SMILES notation for 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol?
The canonical SMILES for 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3F)c2cc1O.
What is the InChIKey of 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol?
The InChIKey is BFKXLECDZYVGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-24-9-13(19(23-24)11-5-3-4-6-14(11)20)18-12-7-16(25)17(26-2)8-15(12)21-10-22-18/h3-10,25H,1-2H3.
What are the key properties of 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol?
4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol has a molecular weight of 350.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol is sourced from PubChem (CID 169231230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).