N-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide

C12H12FN3O2 — CID 177351346

IUPACN-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
SMILESC=CNC(=O)CN1Cc2cc(F)ccc2NC1=O
InChIInChI=1S/C12H12FN3O2/c1-2-14-11(17)7-16-6-8-5-9(13)3-4-10(8)15-12(16)18/h2-5H,1,6-7H2,(H,14,17)(H,15,18)
InChIKeyIUZTUQIXDDJZJX-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.43
Rot. Bonds3

About N-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide

N-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide (PubChem CID 177351346) has the molecular formula C12H12FN3O2 and a molecular weight of 249.24 g/mol. Its IUPAC name is N-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
PubChem CID177351346
Molecular FormulaC12H12FN3O2
Molecular Weight249.24 g/mol
Exact Mass249.09
IUPAC NameN-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
SMILESC=CNC(=O)CN1Cc2cc(F)ccc2NC1=O
InChIInChI=1S/C12H12FN3O2/c1-2-14-11(17)7-16-6-8-5-9(13)3-4-10(8)15-12(16)18/h2-5H,1,6-7H2,(H,14,17)(H,15,18)
InChIKeyIUZTUQIXDDJZJX-UHFFFAOYSA-N
XLogP1.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyanobut-3-enyl)-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 177350992
N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497028
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane
CID 171497640
N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497300
N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 176748885
N-[1-(3,5-difluoro-2-pyridinyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 176748857
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497142
6-fluoro-3-[2-[(1S,4R)-5-(4-fluorophenyl)-2-azabicyclo[2.2.1]hept-5-en-2-yl]-2-oxoethyl]-1,4-dihydroquinazolin-2-one
CID 177351384
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 171497120
6-fluoro-3-[2-[(1R,4R)-4-methyl-3-(2-methylpyrimidin-5-yl)-6-azabicyclo[3.1.0]hex-2-en-6-yl]-2-oxoethyl]-1,4-dihydroquinazolin-2-one
CID 177351407
6-fluoro-3-[2-[6-(2-fluorophenyl)-2-azabicyclo[2.2.1]hept-5-en-2-yl]-2-oxoethyl]-1,4-dihydroquinazolin-2-one
CID 177351131
methyl 2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-4-methylpentanoate
CID 171497217

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide?
The IUPAC name of N-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide (CID 177351346) is N-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide.
What is the SMILES notation for N-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide?
The canonical SMILES for N-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide is C=CNC(=O)CN1Cc2cc(F)ccc2NC1=O.
What is the InChIKey of N-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide?
The InChIKey is IUZTUQIXDDJZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-2-14-11(17)7-16-6-8-5-9(13)3-4-10(8)15-12(16)18/h2-5H,1,6-7H2,(H,14,17)(H,15,18).
What are the key properties of N-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide?
N-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide has a molecular weight of 249.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide is sourced from PubChem (CID 177351346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).