6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one

C21H24N6O2 — CID 126896407

IUPAC6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1nc(N2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)ccc1=O
InChIInChI=1S/C21H24N6O2/c1-25-20(28)7-6-19(24-25)27-10-8-26(9-11-27)16-4-5-18-17(12-16)21(23-14-22-18)29-13-15-2-3-15/h4-7,12,14-15H,2-3,8-11,13H2,1H3
InChIKeyKGKGJIWKRKJCLF-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.84
Rot. Bonds5

About 6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one

6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 126896407) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID126896407
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1nc(N2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)ccc1=O
InChIInChI=1S/C21H24N6O2/c1-25-20(28)7-6-19(24-25)27-10-8-26(9-11-27)16-4-5-18-17(12-16)21(23-14-22-18)29-13-15-2-3-15/h4-7,12,14-15H,2-3,8-11,13H2,1H3
InChIKeyKGKGJIWKRKJCLF-UHFFFAOYSA-N
XLogP1.84
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one with MolForge

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Related Compounds

4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126896365
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 126896267
4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline
CID 126896308
cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone
CID 126896284
4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126896360
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126896274
4-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 126896363
1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol
CID 126896399
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126896354
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol
CID 126896397
3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898520
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126895514

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one (CID 126896407) is 6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one is Cn1nc(N2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)ccc1=O.
What is the InChIKey of 6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is KGKGJIWKRKJCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-25-20(28)7-6-19(24-25)27-10-8-26(9-11-27)16-4-5-18-17(12-16)21(23-14-22-18)29-13-15-2-3-15/h4-7,12,14-15H,2-3,8-11,13H2,1H3.
What are the key properties of 6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one?
6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 392.46 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 126896407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).