6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline

C21H24N6O2 — CID 126896635

IUPAC6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline
SMILESCc1ccc(N2CCN(c3ccc4ncnc(OC5CCOC5)c4c3)CC2)nn1
InChIInChI=1S/C21H24N6O2/c1-15-2-5-20(25-24-15)27-9-7-26(8-10-27)16-3-4-19-18(12-16)21(23-14-22-19)29-17-6-11-28-13-17/h2-5,12,14,17H,6-11,13H2,1H3
InChIKeyDUNQTNLCCZKGHW-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.22
Rot. Bonds4

About 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline

6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline (PubChem CID 126896635) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline.

Molecular Properties

Compound Name6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline
PubChem CID126896635
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline
SMILESCc1ccc(N2CCN(c3ccc4ncnc(OC5CCOC5)c4c3)CC2)nn1
InChIInChI=1S/C21H24N6O2/c1-15-2-5-20(25-24-15)27-9-7-26(8-10-27)16-3-4-19-18(12-16)21(23-14-22-19)29-17-6-11-28-13-17/h2-5,12,14,17H,6-11,13H2,1H3
InChIKeyDUNQTNLCCZKGHW-UHFFFAOYSA-N
XLogP2.22
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline with MolForge

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Related Compounds

6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline
CID 126895043
4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 126896695
3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole
CID 126896702
3-(methoxymethyl)-5-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-1,2,4-thiadiazole
CID 126896749
1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone
CID 126896594
4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole
CID 126896722
[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 126896615
N,N-dimethyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-amine
CID 126895705
4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one
CID 126896735
5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole
CID 126895445
4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895527
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline?
The IUPAC name of 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline (CID 126896635) is 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline.
What is the SMILES notation for 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline?
The canonical SMILES for 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline is Cc1ccc(N2CCN(c3ccc4ncnc(OC5CCOC5)c4c3)CC2)nn1.
What is the InChIKey of 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline?
The InChIKey is DUNQTNLCCZKGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15-2-5-20(25-24-15)27-9-7-26(8-10-27)16-3-4-19-18(12-16)21(23-14-22-19)29-17-6-11-28-13-17/h2-5,12,14,17H,6-11,13H2,1H3.
What are the key properties of 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline?
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline has a molecular weight of 392.46 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline is sourced from PubChem (CID 126896635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).