2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one

C16H15FN2O2 — CID 176842726

IUPAC2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one
SMILESCC1(C)CCc2nc(-c3ccc(O)c(F)c3)ncc2C1=O
InChIInChI=1S/C16H15FN2O2/c1-16(2)6-5-12-10(14(16)21)8-18-15(19-12)9-3-4-13(20)11(17)7-9/h3-4,7-8,20H,5-6H2,1-2H3
InChIKeyQOLLQMLHMACRQK-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.14
Rot. Bonds1

About 2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one

2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one (PubChem CID 176842726) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one
PubChem CID176842726
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one
SMILESCC1(C)CCc2nc(-c3ccc(O)c(F)c3)ncc2C1=O
InChIInChI=1S/C16H15FN2O2/c1-16(2)6-5-12-10(14(16)21)8-18-15(19-12)9-3-4-13(20)11(17)7-9/h3-4,7-8,20H,5-6H2,1-2H3
InChIKeyQOLLQMLHMACRQK-UHFFFAOYSA-N
XLogP3.14
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one (CID 176842726) is 2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one is CC1(C)CCc2nc(-c3ccc(O)c(F)c3)ncc2C1=O.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one?
The InChIKey is QOLLQMLHMACRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-16(2)6-5-12-10(14(16)21)8-18-15(19-12)9-3-4-13(20)11(17)7-9/h3-4,7-8,20H,5-6H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one?
2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one has a molecular weight of 286.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one is sourced from PubChem (CID 176842726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).