2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid

C22H24N2O4 — CID 67485979

IUPAC2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid
SMILESCCCCCCC(C(=O)O)n1ncc(Oc2cccc3ccccc23)cc1=O
InChIInChI=1S/C22H24N2O4/c1-2-3-4-5-12-19(22(26)27)24-21(25)14-17(15-23-24)28-20-13-8-10-16-9-6-7-11-18(16)20/h6-11,13-15,19H,2-5,12H2,1H3,(H,26,27)
InChIKeyMZCYTJMZMAXPCF-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.78
Rot. Bonds9

About 2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid

2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid (PubChem CID 67485979) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid.

Molecular Properties

Compound Name2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid
PubChem CID67485979
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid
SMILESCCCCCCC(C(=O)O)n1ncc(Oc2cccc3ccccc23)cc1=O
InChIInChI=1S/C22H24N2O4/c1-2-3-4-5-12-19(22(26)27)24-21(25)14-17(15-23-24)28-20-13-8-10-16-9-6-7-11-18(16)20/h6-11,13-15,19H,2-5,12H2,1H3,(H,26,27)
InChIKeyMZCYTJMZMAXPCF-UHFFFAOYSA-N
XLogP4.78
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 67607933
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CID 121015695
2-naphthalen-1-yldodecanoic acid
CID 23333439
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2-methyl-1-naphthalen-1-yldecan-1-one
CID 90112033
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CID 4673195
methyl 2-anthracen-1-yloxyhexadecanoate
CID 175607188
methyl 2-anthracen-1-yloxypentadecanoate
CID 175607148
2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)nonadecanoic acid
CID 71216292
1-(3-naphthalen-1-yloxyphenyl)propan-1-one
CID 22660295
2-methoxy-1-naphthalen-2-yltetradecan-1-one
CID 20979765
benzyl 2-(2,5-dioxopyrrolidin-1-yl)octadecanoate
CID 175852678

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid?
The IUPAC name of 2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid (CID 67485979) is 2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid.
What is the SMILES notation for 2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid?
The canonical SMILES for 2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid is CCCCCCC(C(=O)O)n1ncc(Oc2cccc3ccccc23)cc1=O.
What is the InChIKey of 2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid?
The InChIKey is MZCYTJMZMAXPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-2-3-4-5-12-19(22(26)27)24-21(25)14-17(15-23-24)28-20-13-8-10-16-9-6-7-11-18(16)20/h6-11,13-15,19H,2-5,12H2,1H3,(H,26,27).
What are the key properties of 2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid?
2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid has a molecular weight of 380.44 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid is sourced from PubChem (CID 67485979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).