6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline

C20H24N6O — CID 126895043

IUPAC6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline
SMILESCc1ccc(N2CCN(c3ccc4ncnc(OC(C)C)c4c3)CC2)nn1
InChIInChI=1S/C20H24N6O/c1-14(2)27-20-17-12-16(5-6-18(17)21-13-22-20)25-8-10-26(11-9-25)19-7-4-15(3)23-24-19/h4-7,12-14H,8-11H2,1-3H3
InChIKeyOSLODYYAYRXPQF-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.84
Rot. Bonds4

About 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline

6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline (PubChem CID 126895043) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline.

Molecular Properties

Compound Name6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline
PubChem CID126895043
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline
SMILESCc1ccc(N2CCN(c3ccc4ncnc(OC(C)C)c4c3)CC2)nn1
InChIInChI=1S/C20H24N6O/c1-14(2)27-20-17-12-16(5-6-18(17)21-13-22-20)25-8-10-26(11-9-25)19-7-4-15(3)23-24-19/h4-7,12-14H,8-11H2,1-3H3
InChIKeyOSLODYYAYRXPQF-UHFFFAOYSA-N
XLogP2.84
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline
CID 126895251
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline
CID 126896635
N,N-dimethyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-amine
CID 126895705
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126895037
(5-methyl-1,2-oxazol-3-yl)-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894977
2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 126895263
2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone
CID 126895013
4-(2,2-difluoroethoxy)-6-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
CID 126896570
3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895053
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one
CID 126895204
1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 126895198
5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 126894994

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline?
The IUPAC name of 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline (CID 126895043) is 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline.
What is the SMILES notation for 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline?
The canonical SMILES for 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline is Cc1ccc(N2CCN(c3ccc4ncnc(OC(C)C)c4c3)CC2)nn1.
What is the InChIKey of 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline?
The InChIKey is OSLODYYAYRXPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14(2)27-20-17-12-16(5-6-18(17)21-13-22-20)25-8-10-26(11-9-25)19-7-4-15(3)23-24-19/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline?
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline has a molecular weight of 364.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline is sourced from PubChem (CID 126895043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).