2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one

C15H13FN2O — CID 42883579

IUPAC2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one
SMILESCC1(c2ccccc2F)NC(=O)c2ccccc2N1
InChIInChI=1S/C15H13FN2O/c1-15(11-7-3-4-8-12(11)16)17-13-9-5-2-6-10(13)14(19)18-15/h2-9,17H,1H3,(H,18,19)
InChIKeyNVLPBWFRCVGEDW-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.85
Rot. Bonds1

About 2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one

2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one (PubChem CID 42883579) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one
PubChem CID42883579
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one
SMILESCC1(c2ccccc2F)NC(=O)c2ccccc2N1
InChIInChI=1S/C15H13FN2O/c1-15(11-7-3-4-8-12(11)16)17-13-9-5-2-6-10(13)14(19)18-15/h2-9,17H,1H3,(H,18,19)
InChIKeyNVLPBWFRCVGEDW-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one (CID 42883579) is 2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one is CC1(c2ccccc2F)NC(=O)c2ccccc2N1.
What is the InChIKey of 2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one?
The InChIKey is NVLPBWFRCVGEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-15(11-7-3-4-8-12(11)16)17-13-9-5-2-6-10(13)14(19)18-15/h2-9,17H,1H3,(H,18,19).
What are the key properties of 2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one?
2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one has a molecular weight of 256.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one is sourced from PubChem (CID 42883579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).