8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one

C24H26N6O3S — CID 24610050

IUPAC8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one
SMILESCc1cccc2c(=O)n(CCCC(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)cnc12
InChIInChI=1S/C24H26N6O3S/c1-17-5-2-6-18-22(17)25-16-30(24(18)32)9-3-8-21(31)29-12-10-28(11-13-29)15-20-26-23(27-33-20)19-7-4-14-34-19/h2,4-7,14,16H,3,8-13,15H2,1H3
InChIKeyDDOYMWJMWXFXEY-UHFFFAOYSA-N
MW478.58 g/mol
LogP2.94
Rot. Bonds7

About 8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one

8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one (PubChem CID 24610050) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one
PubChem CID24610050
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one
SMILESCc1cccc2c(=O)n(CCCC(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)cnc12
InChIInChI=1S/C24H26N6O3S/c1-17-5-2-6-18-22(17)25-16-30(24(18)32)9-3-8-21(31)29-12-10-28(11-13-29)15-20-26-23(27-33-20)19-7-4-14-34-19/h2,4-7,14,16H,3,8-13,15H2,1H3
InChIKeyDDOYMWJMWXFXEY-UHFFFAOYSA-N
XLogP2.94
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one with MolForge

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Related Compounds

2-(2,6-dimethylphenoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 24609979
3-(3-methylphenyl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 51323700
3-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]-2H-phthalazine-1,4-dione
CID 55500940
1-(2,5-dimethylphenyl)-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butane-1,4-dione
CID 30126615
(2,3-dimethylphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 32900756
4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 16582857
tert-butyl N-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]carbamate
CID 55523991
3-(2-hydroxyphenyl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 30126215
3-(furan-2-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 30126710
2-naphthalen-1-yl-N-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]acetamide
CID 16606338
4-tert-butyl-N-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]benzamide
CID 24590870
4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one
CID 55446960

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one?
The IUPAC name of 8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one (CID 24610050) is 8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one.
What is the SMILES notation for 8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one?
The canonical SMILES for 8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one is Cc1cccc2c(=O)n(CCCC(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)cnc12.
What is the InChIKey of 8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one?
The InChIKey is DDOYMWJMWXFXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-17-5-2-6-18-22(17)25-16-30(24(18)32)9-3-8-21(31)29-12-10-28(11-13-29)15-20-26-23(27-33-20)19-7-4-14-34-19/h2,4-7,14,16H,3,8-13,15H2,1H3.
What are the key properties of 8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one?
8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one has a molecular weight of 478.58 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]quinazolin-4-one is sourced from PubChem (CID 24610050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).