6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine

C18H23N7O2 — CID 126895937

IUPAC6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
SMILESCOCc1noc(N2CCN(c3ccc4ncnc(N(C)C)c4c3)CC2)n1
InChIInChI=1S/C18H23N7O2/c1-23(2)17-14-10-13(4-5-15(14)19-12-20-17)24-6-8-25(9-7-24)18-21-16(11-26-3)22-27-18/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyQABQLIQKJSXGRL-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.55
Rot. Bonds5

About 6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine

6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine (PubChem CID 126895937) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
PubChem CID126895937
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
SMILESCOCc1noc(N2CCN(c3ccc4ncnc(N(C)C)c4c3)CC2)n1
InChIInChI=1S/C18H23N7O2/c1-23(2)17-14-10-13(4-5-15(14)19-12-20-17)24-6-8-25(9-7-24)18-21-16(11-26-3)22-27-18/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyQABQLIQKJSXGRL-UHFFFAOYSA-N
XLogP1.55
TPSA83.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine with MolForge

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Related Compounds

N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
CID 126895886
N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine
CID 126895928
N,N-dimethyl-6-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
CID 126895875
3-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 126895764
N,N-dimethyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-amine
CID 126895705
N,N-dimethyl-6-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895844
N,N-dimethyl-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895716
1-[2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]ethyl]azepan-2-one
CID 126895890
2-(1,2-benzoxazol-3-yl)-1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]ethanone
CID 126895637
6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895865
7-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]azepan-2-one
CID 126895768
N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895850

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine (CID 126895937) is 6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine is COCc1noc(N2CCN(c3ccc4ncnc(N(C)C)c4c3)CC2)n1.
What is the InChIKey of 6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
The InChIKey is QABQLIQKJSXGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-23(2)17-14-10-13(4-5-15(14)19-12-20-17)24-6-8-25(9-7-24)18-21-16(11-26-3)22-27-18/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine has a molecular weight of 369.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 126895937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).