1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one

C24H26N6O3 — CID 53307413

IUPAC1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one
SMILESCn1cc(-n2ccc(=O)c(Cc3ccc4ncc(OCCN5CCOCC5)cc4c3)n2)cn1
InChIInChI=1S/C24H26N6O3/c1-28-17-20(15-26-28)30-5-4-24(31)23(27-30)13-18-2-3-22-19(12-18)14-21(16-25-22)33-11-8-29-6-9-32-10-7-29/h2-5,12,14-17H,6-11,13H2,1H3
InChIKeyZXLFGMFKVOKJPC-UHFFFAOYSA-N
MW446.51 g/mol
LogP1.82
Rot. Bonds7

About 1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one

1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one (PubChem CID 53307413) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one
PubChem CID53307413
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one
SMILESCn1cc(-n2ccc(=O)c(Cc3ccc4ncc(OCCN5CCOCC5)cc4c3)n2)cn1
InChIInChI=1S/C24H26N6O3/c1-28-17-20(15-26-28)30-5-4-24(31)23(27-30)13-18-2-3-22-19(12-18)14-21(16-25-22)33-11-8-29-6-9-32-10-7-29/h2-5,12,14-17H,6-11,13H2,1H3
InChIKeyZXLFGMFKVOKJPC-UHFFFAOYSA-N
XLogP1.82
TPSA87.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one with MolForge

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-[[3-[5-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidin-2-yl]phenyl]methyl]pyridazin-4-one
CID 70871634
2-hydroxyethyl 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate
CID 162142791
3-[[3-[5-(2-methylpropoxy)pyrimidin-2-yl]phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
CID 67379300
1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one
CID 67343291
1-(1-methylpyrazol-4-yl)-3-[[3-[5-(pyridin-4-ylmethoxy)pyrimidin-2-yl]phenyl]methyl]pyridazin-4-one
CID 70871354
1-(1-methylpyrazol-4-yl)-3-[[3-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-4-one
CID 67344539
2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide
CID 53307260
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
CID 70871546
3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
CID 67342289
1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one
CID 56645694
3-[[3-[1-[(3-methyloxetan-3-yl)methyl]-1,2,4-triazol-3-yl]phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
CID 70871403
3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
CID 70871641

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one (CID 53307413) is 1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one is Cn1cc(-n2ccc(=O)c(Cc3ccc4ncc(OCCN5CCOCC5)cc4c3)n2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one?
The InChIKey is ZXLFGMFKVOKJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-28-17-20(15-26-28)30-5-4-24(31)23(27-30)13-18-2-3-22-19(12-18)14-21(16-25-22)33-11-8-29-6-9-32-10-7-29/h2-5,12,14-17H,6-11,13H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one?
1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one has a molecular weight of 446.51 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one is sourced from PubChem (CID 53307413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).