1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one

C18H16N6O — CID 56645694

IUPAC1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one
SMILESCn1cc(-n2ccc(=O)c(CNc3ccc4ncccc4c3)n2)cn1
InChIInChI=1S/C18H16N6O/c1-23-12-15(10-21-23)24-8-6-18(25)17(22-24)11-20-14-4-5-16-13(9-14)3-2-7-19-16/h2-10,12,20H,11H2,1H3
InChIKeyPOBNBAKDPRIVLN-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.13
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one

1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one (PubChem CID 56645694) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one
PubChem CID56645694
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one
SMILESCn1cc(-n2ccc(=O)c(CNc3ccc4ncccc4c3)n2)cn1
InChIInChI=1S/C18H16N6O/c1-23-12-15(10-21-23)24-8-6-18(25)17(22-24)11-20-14-4-5-16-13(9-14)3-2-7-19-16/h2-10,12,20H,11H2,1H3
InChIKeyPOBNBAKDPRIVLN-UHFFFAOYSA-N
XLogP2.13
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one
CID 66614049
N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine
CID 66415969
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine
CID 62636139
1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one
CID 53308325
1-(1-methylpyrazol-4-yl)-3-[[3-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-4-one
CID 67344539
N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine
CID 106936812
1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one
CID 53307413
2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide
CID 53307260
5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one
CID 53308327
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine
CID 43691138
N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-6-amine
CID 62743051

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one (CID 56645694) is 1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one is Cn1cc(-n2ccc(=O)c(CNc3ccc4ncccc4c3)n2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one?
The InChIKey is POBNBAKDPRIVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-23-12-15(10-21-23)24-8-6-18(25)17(22-24)11-20-14-4-5-16-13(9-14)3-2-7-19-16/h2-10,12,20H,11H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one?
1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one has a molecular weight of 332.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one is sourced from PubChem (CID 56645694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).