2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid

C20H24N2O4 — CID 140541395

IUPAC2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid
SMILESCCCC(C)(C(=O)O)n1ncc(Oc2cccc3c2CCCC3)cc1=O
InChIInChI=1S/C20H24N2O4/c1-3-11-20(2,19(24)25)22-18(23)12-15(13-21-22)26-17-10-6-8-14-7-4-5-9-16(14)17/h6,8,10,12-13H,3-5,7,9,11H2,1-2H3,(H,24,25)
InChIKeyRKBKRVXCEYWUFN-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.51
Rot. Bonds6

About 2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid

2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid (PubChem CID 140541395) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid
PubChem CID140541395
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid
SMILESCCCC(C)(C(=O)O)n1ncc(Oc2cccc3c2CCCC3)cc1=O
InChIInChI=1S/C20H24N2O4/c1-3-11-20(2,19(24)25)22-18(23)12-15(13-21-22)26-17-10-6-8-14-7-4-5-9-16(14)17/h6,8,10,12-13H,3-5,7,9,11H2,1-2H3,(H,24,25)
InChIKeyRKBKRVXCEYWUFN-UHFFFAOYSA-N
XLogP3.51
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid?
The IUPAC name of 2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid (CID 140541395) is 2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid?
The canonical SMILES for 2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid is CCCC(C)(C(=O)O)n1ncc(Oc2cccc3c2CCCC3)cc1=O.
What is the InChIKey of 2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid?
The InChIKey is RKBKRVXCEYWUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-11-20(2,19(24)25)22-18(23)12-15(13-21-22)26-17-10-6-8-14-7-4-5-9-16(14)17/h6,8,10,12-13H,3-5,7,9,11H2,1-2H3,(H,24,25).
What are the key properties of 2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid?
2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid has a molecular weight of 356.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]pentanoic acid is sourced from PubChem (CID 140541395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).