(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate

C18H17N3O3 — CID 154857844

IUPAC(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate
SMILESCc1cc(=O)c(COC(=O)CCc2cnc3ccccc3c2)n[nH]1
InChIInChI=1S/C18H17N3O3/c1-12-8-17(22)16(21-20-12)11-24-18(23)7-6-13-9-14-4-2-3-5-15(14)19-10-13/h2-5,8-10H,6-7,11H2,1H3,(H,20,22)
InChIKeyPFBNNEIJEGMDIK-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.30
Rot. Bonds5

About (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate

(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate (PubChem CID 154857844) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate.

Molecular Properties

Compound Name(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate
PubChem CID154857844
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate
SMILESCc1cc(=O)c(COC(=O)CCc2cnc3ccccc3c2)n[nH]1
InChIInChI=1S/C18H17N3O3/c1-12-8-17(22)16(21-20-12)11-24-18(23)7-6-13-9-14-4-2-3-5-15(14)19-10-13/h2-5,8-10H,6-7,11H2,1H3,(H,20,22)
InChIKeyPFBNNEIJEGMDIK-UHFFFAOYSA-N
XLogP2.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate?
The IUPAC name of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate (CID 154857844) is (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate.
What is the SMILES notation for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate?
The canonical SMILES for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate is Cc1cc(=O)c(COC(=O)CCc2cnc3ccccc3c2)n[nH]1.
What is the InChIKey of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate?
The InChIKey is PFBNNEIJEGMDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-8-17(22)16(21-20-12)11-24-18(23)7-6-13-9-14-4-2-3-5-15(14)19-10-13/h2-5,8-10H,6-7,11H2,1H3,(H,20,22).
What are the key properties of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate?
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate has a molecular weight of 323.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate is sourced from PubChem (CID 154857844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).