6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one

C21H16FN3O2 — CID 135464225

IUPAC6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(-c2ccccc2O)n1CCc1cccnc1
InChIInChI=1S/C21H16FN3O2/c22-15-7-8-18-17(12-15)21(27)25(11-9-14-4-3-10-23-13-14)20(24-18)16-5-1-2-6-19(16)26/h1-8,10,12-13,26H,9,11H2
InChIKeyYTEYYYXFNUGJBH-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.55
Rot. Bonds4

About 6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one

6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one (PubChem CID 135464225) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one
PubChem CID135464225
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(-c2ccccc2O)n1CCc1cccnc1
InChIInChI=1S/C21H16FN3O2/c22-15-7-8-18-17(12-15)21(27)25(11-9-14-4-3-10-23-13-14)20(24-18)16-5-1-2-6-19(16)26/h1-8,10,12-13,26H,9,11H2
InChIKeyYTEYYYXFNUGJBH-UHFFFAOYSA-N
XLogP3.55
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 135503775
CID 135503775
6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one
CID 135546074
3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one
CID 135401163
3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one
CID 135430569
5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole
CID 71015998
2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 135712805
6-fluoro-2-methyl-3-pyridin-3-ylquinazolin-4-one
CID 134445912
2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948942
2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one
CID 135712775
2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948806
1-oxo-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 172882568
2-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 51365215

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one?
The IUPAC name of 6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one (CID 135464225) is 6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one?
The canonical SMILES for 6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one is O=c1c2cc(F)ccc2nc(-c2ccccc2O)n1CCc1cccnc1.
What is the InChIKey of 6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one?
The InChIKey is YTEYYYXFNUGJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c22-15-7-8-18-17(12-15)21(27)25(11-9-14-4-3-10-23-13-14)20(24-18)16-5-1-2-6-19(16)26/h1-8,10,12-13,26H,9,11H2.
What are the key properties of 6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one?
6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one has a molecular weight of 361.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one is sourced from PubChem (CID 135464225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).