2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one

C22H24FN3O2 — CID 135202018

IUPAC2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(CCC(=O)N2CCC(c3ccc(F)cc3)CC2)Nc2ccccc21
InChIInChI=1S/C22H24FN3O2/c23-17-7-5-15(6-8-17)16-11-13-26(14-12-16)21(27)10-9-20-24-19-4-2-1-3-18(19)22(28)25-20/h1-8,16,20,24H,9-14H2,(H,25,28)
InChIKeyGWCAQMPIOLRFTM-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.49
Rot. Bonds4

About 2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one

2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 135202018) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one
PubChem CID135202018
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(CCC(=O)N2CCC(c3ccc(F)cc3)CC2)Nc2ccccc21
InChIInChI=1S/C22H24FN3O2/c23-17-7-5-15(6-8-17)16-11-13-26(14-12-16)21(27)10-9-20-24-19-4-2-1-3-18(19)22(28)25-20/h1-8,16,20,24H,9-14H2,(H,25,28)
InChIKeyGWCAQMPIOLRFTM-UHFFFAOYSA-N
XLogP3.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one 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

1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 44765669
(3R)-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 99871505
5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one
CID 57153662
(3R)-3-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 91903453
3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 71831272
(3R)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 51829815
2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 16674603
methyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 70180289
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 39580767
4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one
CID 124888618
(3R)-3-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 51829896
(3R)-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 51834816

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one (CID 135202018) is 2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(CCC(=O)N2CCC(c3ccc(F)cc3)CC2)Nc2ccccc21.
What is the InChIKey of 2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is GWCAQMPIOLRFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-17-7-5-15(6-8-17)16-11-13-26(14-12-16)21(27)10-9-20-24-19-4-2-1-3-18(19)22(28)25-20/h1-8,16,20,24H,9-14H2,(H,25,28).
What are the key properties of 2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one?
2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 381.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 135202018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).