3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one

C23H19FN2O3 — CID 135401163

IUPAC3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one
SMILESCOc1cccc2c(=O)n(CCc3cccc(F)c3)c(-c3ccccc3O)nc12
InChIInChI=1S/C23H19FN2O3/c1-29-20-11-5-9-18-21(20)25-22(17-8-2-3-10-19(17)27)26(23(18)28)13-12-15-6-4-7-16(24)14-15/h2-11,14,27H,12-13H2,1H3
InChIKeyMPBKFGDZYDJZNX-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.16
Rot. Bonds5

About 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one

3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one (PubChem CID 135401163) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one
PubChem CID135401163
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Name3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one
SMILESCOc1cccc2c(=O)n(CCc3cccc(F)c3)c(-c3ccccc3O)nc12
InChIInChI=1S/C23H19FN2O3/c1-29-20-11-5-9-18-21(20)25-22(17-8-2-3-10-19(17)27)26(23(18)28)13-12-15-6-4-7-16(24)14-15/h2-11,14,27H,12-13H2,1H3
InChIKeyMPBKFGDZYDJZNX-UHFFFAOYSA-N
XLogP4.16
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one?
The IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one (CID 135401163) is 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one.
What is the SMILES notation for 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one?
The canonical SMILES for 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one is COc1cccc2c(=O)n(CCc3cccc(F)c3)c(-c3ccccc3O)nc12.
What is the InChIKey of 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one?
The InChIKey is MPBKFGDZYDJZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-29-20-11-5-9-18-21(20)25-22(17-8-2-3-10-19(17)27)26(23(18)28)13-12-15-6-4-7-16(24)14-15/h2-11,14,27H,12-13H2,1H3.
What are the key properties of 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one?
3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one has a molecular weight of 390.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one is sourced from PubChem (CID 135401163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).