6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one

C16H14F2N2O — CID 134944119

IUPAC6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one
SMILESO=C1NCc2cc(F)c(F)cc2N1CCc1ccccc1
InChIInChI=1S/C16H14F2N2O/c17-13-8-12-10-19-16(21)20(15(12)9-14(13)18)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,19,21)
InChIKeyZFARLUMCXKWLEW-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.24
Rot. Bonds3

About 6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one

6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one (PubChem CID 134944119) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one
PubChem CID134944119
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one
SMILESO=C1NCc2cc(F)c(F)cc2N1CCc1ccccc1
InChIInChI=1S/C16H14F2N2O/c17-13-8-12-10-19-16(21)20(15(12)9-14(13)18)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,19,21)
InChIKeyZFARLUMCXKWLEW-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one?
The IUPAC name of 6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one (CID 134944119) is 6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one is O=C1NCc2cc(F)c(F)cc2N1CCc1ccccc1.
What is the InChIKey of 6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one?
The InChIKey is ZFARLUMCXKWLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-13-8-12-10-19-16(21)20(15(12)9-14(13)18)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,19,21).
What are the key properties of 6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one?
6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one has a molecular weight of 288.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 134944119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).