5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one

C18H16FN3O — CID 137463725

IUPAC5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one
SMILESO=c1c2c(F)cccc2nc([C@@H]2CCCN2)n1-c1ccccc1
InChIInChI=1S/C18H16FN3O/c19-13-8-4-9-14-16(13)18(23)22(12-6-2-1-3-7-12)17(21-14)15-10-5-11-20-15/h1-4,6-9,15,20H,5,10-11H2/t15-/m0/s1
InChIKeyXFWMRGYEGNGALL-HNNXBMFYSA-N
MW309.34 g/mol
LogP2.95
Rot. Bonds2

About 5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one

5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 137463725) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one
PubChem CID137463725
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one
SMILESO=c1c2c(F)cccc2nc([C@@H]2CCCN2)n1-c1ccccc1
InChIInChI=1S/C18H16FN3O/c19-13-8-4-9-14-16(13)18(23)22(12-6-2-1-3-7-12)17(21-14)15-10-5-11-20-15/h1-4,6-9,15,20H,5,10-11H2/t15-/m0/s1
InChIKeyXFWMRGYEGNGALL-HNNXBMFYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one
CID 144894826
lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate
CID 139035725
2-(2-chlorophenyl)-5-fluoro-3-phenylquinazolin-4-one
CID 155671982
4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 118446035
3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117162657
2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride
CID 175690191
benzyl (3S)-3-[5-chloro-4-oxo-2-[(2S)-pyrrolidin-2-yl]quinazolin-3-yl]pyrrolidine-1-carboxylate
CID 144686909
2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)azepane
CID 64562107
[(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate
CID 121455170
3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117163089
9-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039373
4-(4-chlorophenyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one
CID 81480645

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one (CID 137463725) is 5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one is O=c1c2c(F)cccc2nc([C@@H]2CCCN2)n1-c1ccccc1.
What is the InChIKey of 5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is XFWMRGYEGNGALL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-13-8-4-9-14-16(13)18(23)22(12-6-2-1-3-7-12)17(21-14)15-10-5-11-20-15/h1-4,6-9,15,20H,5,10-11H2/t15-/m0/s1.
What are the key properties of 5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one?
5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 309.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-phenyl-2-[(2S)-pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 137463725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).