7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one

C20H21FN2O3 — CID 52541560

IUPAC7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one
SMILESCC(C)c1ccccc1OC[C@@H](O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C20H21FN2O3/c1-13(2)16-5-3-4-6-19(16)26-11-15(24)10-23-12-22-18-9-14(21)7-8-17(18)20(23)25/h3-9,12-13,15,24H,10-11H2,1-2H3/t15-/m0/s1
InChIKeyBZVQDRSTBVLFKW-HNNXBMFYSA-N
MW356.40 g/mol
LogP3.10
Rot. Bonds6

About 7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one

7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one (PubChem CID 52541560) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one
PubChem CID52541560
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one
SMILESCC(C)c1ccccc1OC[C@@H](O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C20H21FN2O3/c1-13(2)16-5-3-4-6-19(16)26-11-15(24)10-23-12-22-18-9-14(21)7-8-17(18)20(23)25/h3-9,12-13,15,24H,10-11H2,1-2H3/t15-/m0/s1
InChIKeyBZVQDRSTBVLFKW-HNNXBMFYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one with MolForge

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Related Compounds

3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
CID 17403996
7-fluoro-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 17465079
1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 51932166
7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 40895606
3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
CID 41176342
7-fluoro-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]quinazolin-4-one
CID 17419301
7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one
CID 51981456
1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 25484583
1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 109411232
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]quinazolin-4-one
CID 51283425
2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one
CID 46529535

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one (CID 52541560) is 7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one is CC(C)c1ccccc1OC[C@@H](O)Cn1cnc2cc(F)ccc2c1=O.
What is the InChIKey of 7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one?
The InChIKey is BZVQDRSTBVLFKW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-13(2)16-5-3-4-6-19(16)26-11-15(24)10-23-12-22-18-9-14(21)7-8-17(18)20(23)25/h3-9,12-13,15,24H,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of 7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one?
7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one has a molecular weight of 356.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one is sourced from PubChem (CID 52541560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).