3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one

C19H22N6O2 — CID 126930558

IUPAC3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one
SMILESCn1c(NCC2CCCCN2c2ccc(=O)[nH]n2)nc2ccccc2c1=O
InChIInChI=1S/C19H22N6O2/c1-24-18(27)14-7-2-3-8-15(14)21-19(24)20-12-13-6-4-5-11-25(13)16-9-10-17(26)23-22-16/h2-3,7-10,13H,4-6,11-12H2,1H3,(H,20,21)(H,23,26)
InChIKeyZUDNWMIDABEKEG-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.49
Rot. Bonds4

About 3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one

3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one (PubChem CID 126930558) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one
PubChem CID126930558
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one
SMILESCn1c(NCC2CCCCN2c2ccc(=O)[nH]n2)nc2ccccc2c1=O
InChIInChI=1S/C19H22N6O2/c1-24-18(27)14-7-2-3-8-15(14)21-19(24)20-12-13-6-4-5-11-25(13)16-9-10-17(26)23-22-16/h2-3,7-10,13H,4-6,11-12H2,1H3,(H,20,21)(H,23,26)
InChIKeyZUDNWMIDABEKEG-UHFFFAOYSA-N
XLogP1.49
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one with MolForge

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Related Compounds

3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126930570
3-[2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930534
6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931106
N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 126930312
3-[2-[[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930523
3-[2-[[(6-cyclopropylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930428
3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930439
3-[2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930411
3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930427
3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930486
3-[2-[[(1-hydroxycyclopentyl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930538
3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 126930391

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one (CID 126930558) is 3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one is Cn1c(NCC2CCCCN2c2ccc(=O)[nH]n2)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one?
The InChIKey is ZUDNWMIDABEKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-24-18(27)14-7-2-3-8-15(14)21-19(24)20-12-13-6-4-5-11-25(13)16-9-10-17(26)23-22-16/h2-3,7-10,13H,4-6,11-12H2,1H3,(H,20,21)(H,23,26).
What are the key properties of 3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one?
3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one has a molecular weight of 366.43 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one is sourced from PubChem (CID 126930558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).