N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide

C16H14FN3O2 — CID 3542370

IUPACN-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
SMILESCC(=O)NN1C(=O)c2ccccc2NC1c1ccccc1F
InChIInChI=1S/C16H14FN3O2/c1-10(21)19-20-15(11-6-2-4-8-13(11)17)18-14-9-5-3-7-12(14)16(20)22/h2-9,15,18H,1H3,(H,19,21)
InChIKeyNTXSOQIJJIEZKK-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.44
Rot. Bonds2

About N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide

N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide (PubChem CID 3542370) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
PubChem CID3542370
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC NameN-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
SMILESCC(=O)NN1C(=O)c2ccccc2NC1c1ccccc1F
InChIInChI=1S/C16H14FN3O2/c1-10(21)19-20-15(11-6-2-4-8-13(11)17)18-14-9-5-3-7-12(14)16(20)22/h2-9,15,18H,1H3,(H,19,21)
InChIKeyNTXSOQIJJIEZKK-UHFFFAOYSA-N
XLogP2.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide (CID 3542370) is N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide is CC(=O)NN1C(=O)c2ccccc2NC1c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
The InChIKey is NTXSOQIJJIEZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-10(21)19-20-15(11-6-2-4-8-13(11)17)18-14-9-5-3-7-12(14)16(20)22/h2-9,15,18H,1H3,(H,19,21).
What are the key properties of N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide has a molecular weight of 299.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide is sourced from PubChem (CID 3542370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).