1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea

C16H20N4O4 — CID 30948399

IUPAC1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
SMILESCOc1ccc(NC(=O)NCCCn2ncccc2=O)cc1OC
InChIInChI=1S/C16H20N4O4/c1-23-13-7-6-12(11-14(13)24-2)19-16(22)17-8-4-10-20-15(21)5-3-9-18-20/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,17,19,22)
InChIKeyJZLDTNFZNJYOCT-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.47
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea

1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea (PubChem CID 30948399) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
PubChem CID30948399
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
SMILESCOc1ccc(NC(=O)NCCCn2ncccc2=O)cc1OC
InChIInChI=1S/C16H20N4O4/c1-23-13-7-6-12(11-14(13)24-2)19-16(22)17-8-4-10-20-15(21)5-3-9-18-20/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,17,19,22)
InChIKeyJZLDTNFZNJYOCT-UHFFFAOYSA-N
XLogP1.47
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948397
1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948625
1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948649
2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 30948572
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 121050261
2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948423
1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948615
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 87003086
1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976070
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 55746297
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea (CID 30948399) is 1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea is COc1ccc(NC(=O)NCCCn2ncccc2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The InChIKey is JZLDTNFZNJYOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-23-13-7-6-12(11-14(13)24-2)19-16(22)17-8-4-10-20-15(21)5-3-9-18-20/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,17,19,22).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea has a molecular weight of 332.36 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea is sourced from PubChem (CID 30948399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).