2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one

C18H18N6O2 — CID 126894131

IUPAC2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(c3ccc4ncncc4c3)CC2)ccc1=O
InChIInChI=1S/C18H18N6O2/c1-22-17(25)5-4-16(21-22)18(26)24-8-6-23(7-9-24)14-2-3-15-13(10-14)11-19-12-20-15/h2-5,10-12H,6-9H2,1H3
InChIKeyFRLLGJISYVMNQT-UHFFFAOYSA-N
MW350.38 g/mol
LogP0.69
Rot. Bonds2

About 2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one

2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one (PubChem CID 126894131) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one
PubChem CID126894131
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(c3ccc4ncncc4c3)CC2)ccc1=O
InChIInChI=1S/C18H18N6O2/c1-22-17(25)5-4-16(21-22)18(26)24-8-6-23(7-9-24)14-2-3-15-13(10-14)11-19-12-20-15/h2-5,10-12H,6-9H2,1H3
InChIKeyFRLLGJISYVMNQT-UHFFFAOYSA-N
XLogP0.69
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 126894181
(4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894138
6-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 90516980
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 47162984
6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122332267
oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894159
N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide
CID 126894221
6-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122338462
6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894296
2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one
CID 122346335
7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897294

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one (CID 126894131) is 2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one is Cn1nc(C(=O)N2CCN(c3ccc4ncncc4c3)CC2)ccc1=O.
What is the InChIKey of 2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one?
The InChIKey is FRLLGJISYVMNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-22-17(25)5-4-16(21-22)18(26)24-8-6-23(7-9-24)14-2-3-15-13(10-14)11-19-12-20-15/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one?
2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one has a molecular weight of 350.38 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 126894131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).