6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one

C18H23N3O3 — CID 15996958

IUPAC6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(C2=NN(CCC(=O)N3CCOCC3)C(=O)CC2)cc1
InChIInChI=1S/C18H23N3O3/c1-14-2-4-15(5-3-14)16-6-7-18(23)21(19-16)9-8-17(22)20-10-12-24-13-11-20/h2-5H,6-13H2,1H3
InChIKeyDCGWLKAWHUGPSE-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.57
Rot. Bonds4

About 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one

6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one (PubChem CID 15996958) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one
PubChem CID15996958
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(C2=NN(CCC(=O)N3CCOCC3)C(=O)CC2)cc1
InChIInChI=1S/C18H23N3O3/c1-14-2-4-15(5-3-14)16-6-7-18(23)21(19-16)9-8-17(22)20-10-12-24-13-11-20/h2-5H,6-13H2,1H3
InChIKeyDCGWLKAWHUGPSE-UHFFFAOYSA-N
XLogP1.57
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl [3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetate
CID 12270236
ethyl 2-[3-[(E)-2-(4-methylphenyl)ethenyl]-6-oxo-5,6-dihydro-1(4H)-pyridazinyl]propanoate
CID 5707074
N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]propanamide
CID 12005450
N-[3-(Morpholin-4-YL)propyl]-3-(6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-YL)propanamide
CID 24789938
N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 15993418
N-(3-methoxypropyl)-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 16001575
N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 24761518
3(2H)-Pyridazinone, 4-methyl-2-(2-morpholinoethyl)-6-phenyl-, hydrochloride
CID 200792
3(2H)-Pyridazinone, 4,5-dihydro-4-methyl-2-(2-morpholinoethyl)-6-phenyl-, hydrochloride
CID 208811
3-[3-(4-Methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[3-(morpholin-4-YL)propyl]propanamide
CID 16001611
2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3(2H)-one
CID 16194625
ethyl 2-[3-(4-isopropylstyryl)-6-oxo-5,6-dihydro-1(4H)-pyridazinyl]acetate
CID 1471722

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one (CID 15996958) is 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one is Cc1ccc(C2=NN(CCC(=O)N3CCOCC3)C(=O)CC2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one?
The InChIKey is DCGWLKAWHUGPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14-2-4-15(5-3-14)16-6-7-18(23)21(19-16)9-8-17(22)20-10-12-24-13-11-20/h2-5H,6-13H2,1H3.
What are the key properties of 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one?
6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one has a molecular weight of 329.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 15996958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).