2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide

C17H16N4O4 — CID 131938467

IUPAC2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide
SMILESO=C(Cc1cc(=O)[nH][nH]c1=O)NCCOc1cccc2cccnc12
InChIInChI=1S/C17H16N4O4/c22-14(9-12-10-15(23)20-21-17(12)24)18-7-8-25-13-5-1-3-11-4-2-6-19-16(11)13/h1-6,10H,7-9H2,(H,18,22)(H,20,23)(H,21,24)
InChIKeyWWRIKBBFVKOBMT-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.35
Rot. Bonds6

About 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide

2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide (PubChem CID 131938467) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide
PubChem CID131938467
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide
SMILESO=C(Cc1cc(=O)[nH][nH]c1=O)NCCOc1cccc2cccnc12
InChIInChI=1S/C17H16N4O4/c22-14(9-12-10-15(23)20-21-17(12)24)18-7-8-25-13-5-1-3-11-4-2-6-19-16(11)13/h1-6,10H,7-9H2,(H,18,22)(H,20,23)(H,21,24)
InChIKeyWWRIKBBFVKOBMT-UHFFFAOYSA-N
XLogP0.35
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56534852
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide
CID 134036124
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112975963
1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975973
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
CID 113102253
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide (CID 131938467) is 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide is O=C(Cc1cc(=O)[nH][nH]c1=O)NCCOc1cccc2cccnc12.
What is the InChIKey of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide?
The InChIKey is WWRIKBBFVKOBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c22-14(9-12-10-15(23)20-21-17(12)24)18-7-8-25-13-5-1-3-11-4-2-6-19-16(11)13/h1-6,10H,7-9H2,(H,18,22)(H,20,23)(H,21,24).
What are the key properties of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide?
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide has a molecular weight of 340.34 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide is sourced from PubChem (CID 131938467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).