3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one

C25H20FN3O2 — CID 32626649

IUPAC3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one
SMILESO=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C25H20FN3O2/c26-19-11-7-17(8-12-19)23-6-3-15-28(23)24(30)18-9-13-20(14-10-18)29-16-27-22-5-2-1-4-21(22)25(29)31/h1-2,4-5,7-14,16,23H,3,6,15H2/t23-/m1/s1
InChIKeyFGXBZXGABJFNBX-HSZRJFAPSA-N
MW413.45 g/mol
LogP4.50
Rot. Bonds3

About 3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one

3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one (PubChem CID 32626649) has the molecular formula C25H20FN3O2 and a molecular weight of 413.45 g/mol. Its IUPAC name is 3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one
PubChem CID32626649
Molecular FormulaC25H20FN3O2
Molecular Weight413.45 g/mol
Exact Mass413.15
IUPAC Name3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one
SMILESO=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C25H20FN3O2/c26-19-11-7-17(8-12-19)23-6-3-15-28(23)24(30)18-9-13-20(14-10-18)29-16-27-22-5-2-1-4-21(22)25(29)31/h1-2,4-5,7-14,16,23H,3,6,15H2/t23-/m1/s1
InChIKeyFGXBZXGABJFNBX-HSZRJFAPSA-N
XLogP4.50
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 51338954
3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one
CID 86779872
3-[4-[4-(2,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one
CID 39966533
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24512604
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 47019414
3-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one
CID 55530016
3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
CID 51319060
7-[(2S)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 95045601
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 32840665
[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 41265479
[2-(4-fluorophenyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70775438

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one?
The IUPAC name of 3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one (CID 32626649) is 3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one.
What is the SMILES notation for 3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one?
The canonical SMILES for 3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one is O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one?
The InChIKey is FGXBZXGABJFNBX-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H20FN3O2/c26-19-11-7-17(8-12-19)23-6-3-15-28(23)24(30)18-9-13-20(14-10-18)29-16-27-22-5-2-1-4-21(22)25(29)31/h1-2,4-5,7-14,16,23H,3,6,15H2/t23-/m1/s1.
What are the key properties of 3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one?
3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one has a molecular weight of 413.45 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one is sourced from PubChem (CID 32626649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).