3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole

C20H24N6O3 — CID 126896702

IUPAC3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole
SMILESCc1nonc1CN1CCN(c2ccc3ncnc(OC4CCOC4)c3c2)CC1
InChIInChI=1S/C20H24N6O3/c1-14-19(24-29-23-14)11-25-5-7-26(8-6-25)15-2-3-18-17(10-15)20(22-13-21-18)28-16-4-9-27-12-16/h2-3,10,13,16H,4-9,11-12H2,1H3
InChIKeyRMHFLUDQMMPESB-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.81
Rot. Bonds5

About 3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole

3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole (PubChem CID 126896702) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole
PubChem CID126896702
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole
SMILESCc1nonc1CN1CCN(c2ccc3ncnc(OC4CCOC4)c3c2)CC1
InChIInChI=1S/C20H24N6O3/c1-14-19(24-29-23-14)11-25-5-7-26(8-6-25)15-2-3-18-17(10-15)20(22-13-21-18)28-16-4-9-27-12-16/h2-3,10,13,16H,4-9,11-12H2,1H3
InChIKeyRMHFLUDQMMPESB-UHFFFAOYSA-N
XLogP1.81
TPSA89.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole with MolForge

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Related Compounds

3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126896354
4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 126896695
4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole
CID 126896722
4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895365
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline
CID 126896635
4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one
CID 126896735
3-(methoxymethyl)-5-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-1,2,4-thiadiazole
CID 126896749
4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895527
4-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 126895551
1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone
CID 126896594
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882
[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 126896615

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole (CID 126896702) is 3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole is Cc1nonc1CN1CCN(c2ccc3ncnc(OC4CCOC4)c3c2)CC1.
What is the InChIKey of 3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole?
The InChIKey is RMHFLUDQMMPESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-14-19(24-29-23-14)11-25-5-7-26(8-6-25)15-2-3-18-17(10-15)20(22-13-21-18)28-16-4-9-27-12-16/h2-3,10,13,16H,4-9,11-12H2,1H3.
What are the key properties of 3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole?
3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole has a molecular weight of 396.45 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole is sourced from PubChem (CID 126896702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).