3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

C16H15FN2O2 — CID 138057442

IUPAC3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1c1ccc(O)cc1F
InChIInChI=1S/C16H15FN2O2/c1-2-19-15(11-8-7-10(20)9-13(11)17)18-14-6-4-3-5-12(14)16(19)21/h3-9,15,18,20H,2H2,1H3
InChIKeyVWOIHMRMTYCHFA-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.12
Rot. Bonds2

About 3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 138057442) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID138057442
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1c1ccc(O)cc1F
InChIInChI=1S/C16H15FN2O2/c1-2-19-15(11-8-7-10(20)9-13(11)17)18-14-6-4-3-5-12(14)16(19)21/h3-9,15,18,20H,2H2,1H3
InChIKeyVWOIHMRMTYCHFA-UHFFFAOYSA-N
XLogP3.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 166215044
2-(3,4-dihydroxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
CID 47030381
(2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 9007221
2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one
CID 155928172
3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778020
2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778083
3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 51114892
(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 40709314
(2S)-3-cyclopropyl-2-(2,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008561
(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009021
3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779893
2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778071

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (CID 138057442) is 3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one is CCN1C(=O)c2ccccc2NC1c1ccc(O)cc1F.
What is the InChIKey of 3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is VWOIHMRMTYCHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-2-19-15(11-8-7-10(20)9-13(11)17)18-14-6-4-3-5-12(14)16(19)21/h3-9,15,18,20H,2H2,1H3.
What are the key properties of 3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 286.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 138057442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).