2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one

C25H24FN5O3 — CID 136628963

IUPAC2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3cccc(F)c3)o2)CC1
InChIInChI=1S/C25H24FN5O3/c26-18-6-3-5-17(15-18)25-30-29-24(34-25)16-11-13-31(14-12-16)22(32)10-4-9-21-27-20-8-2-1-7-19(20)23(33)28-21/h1-3,5-8,15-16H,4,9-14H2,(H,27,28,33)
InChIKeyIHBILSNANZVSHM-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.84
Rot. Bonds6

About 2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one

2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one (PubChem CID 136628963) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
PubChem CID136628963
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3cccc(F)c3)o2)CC1
InChIInChI=1S/C25H24FN5O3/c26-18-6-3-5-17(15-18)25-30-29-24(34-25)16-11-13-31(14-12-16)22(32)10-4-9-21-27-20-8-2-1-7-19(20)23(33)28-21/h1-3,5-8,15-16H,4,9-14H2,(H,27,28,33)
InChIKeyIHBILSNANZVSHM-UHFFFAOYSA-N
XLogP3.84
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

7-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136930802
6-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136929598
2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135949295
N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;2-(3-fluorophenyl)-1,3,4-oxadiazole
CID 144584578
2-[4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-oxobutyl]-3H-quinazolin-4-one;hydrochloride
CID 137078552
2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135933709
2-[4-[4-(2,1-benzoxazol-3-yl)piperazin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136628924
6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136607500
2-[4-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136545155
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 121114479
N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135756626
N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide
CID 137278349

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one (CID 136628963) is 2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one is O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3cccc(F)c3)o2)CC1.
What is the InChIKey of 2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one?
The InChIKey is IHBILSNANZVSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c26-18-6-3-5-17(15-18)25-30-29-24(34-25)16-11-13-31(14-12-16)22(32)10-4-9-21-27-20-8-2-1-7-19(20)23(33)28-21/h1-3,5-8,15-16H,4,9-14H2,(H,27,28,33).
What are the key properties of 2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one?
2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one has a molecular weight of 461.50 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136628963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).