6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one

C14H11FN2O — CID 18403958

IUPAC6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccccc2)Nc2ccc(F)cc21
InChIInChI=1S/C14H11FN2O/c15-10-6-7-12-11(8-10)14(18)17-13(16-12)9-4-2-1-3-5-9/h1-8,13,16H,(H,17,18)
InChIKeyCRRHQBGTUFAPBW-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.68
Rot. Bonds1

About 6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one

6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 18403958) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
PubChem CID18403958
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccccc2)Nc2ccc(F)cc21
InChIInChI=1S/C14H11FN2O/c15-10-6-7-12-11(8-10)14(18)17-13(16-12)9-4-2-1-3-5-9/h1-8,13,16H,(H,17,18)
InChIKeyCRRHQBGTUFAPBW-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one (CID 18403958) is 6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(c2ccccc2)Nc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is CRRHQBGTUFAPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-10-6-7-12-11(8-10)14(18)17-13(16-12)9-4-2-1-3-5-9/h1-8,13,16H,(H,17,18).
What are the key properties of 6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one?
6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 242.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 18403958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).