3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one

C19H23N5O2 — CID 56722649

IUPAC3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one
SMILESCN1CCC(Cc2noc(CCn3cnc4ccccc4c3=O)n2)CC1
InChIInChI=1S/C19H23N5O2/c1-23-9-6-14(7-10-23)12-17-21-18(26-22-17)8-11-24-13-20-16-5-3-2-4-15(16)19(24)25/h2-5,13-14H,6-12H2,1H3
InChIKeyASOSKCGXOXLERV-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.91
Rot. Bonds5

About 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one

3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one (PubChem CID 56722649) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one
PubChem CID56722649
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one
SMILESCN1CCC(Cc2noc(CCn3cnc4ccccc4c3=O)n2)CC1
InChIInChI=1S/C19H23N5O2/c1-23-9-6-14(7-10-23)12-17-21-18(26-22-17)8-11-24-13-20-16-5-3-2-4-15(16)19(24)25/h2-5,13-14H,6-12H2,1H3
InChIKeyASOSKCGXOXLERV-UHFFFAOYSA-N
XLogP1.91
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one with MolForge

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Related Compounds

3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one
CID 97454852
(3R)-3-[[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
CID 95225307
3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
CID 71875556
3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 139023691
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
3-propylquinazolin-4-one
CID 529124
4-[(1R)-1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2H-phthalazin-1-one
CID 95218016
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
4-[(1-methylpiperidin-4-yl)methyl]quinazoline
CID 20709663
7-bromo-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 78961579
3-(oxiran-2-ylmethyl)quinazolin-4-one
CID 12905622
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one (CID 56722649) is 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one is CN1CCC(Cc2noc(CCn3cnc4ccccc4c3=O)n2)CC1.
What is the InChIKey of 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one?
The InChIKey is ASOSKCGXOXLERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23-9-6-14(7-10-23)12-17-21-18(26-22-17)8-11-24-13-20-16-5-3-2-4-15(16)19(24)25/h2-5,13-14H,6-12H2,1H3.
What are the key properties of 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one?
3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one has a molecular weight of 353.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 56722649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).