4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one

C18H16N4O3 — CID 91627249

IUPAC4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C18H16N4O3/c23-16-10-14(13-4-1-2-5-15(13)20-16)18(24)22-9-7-12(11-22)25-17-6-3-8-19-21-17/h1-6,8,10,12H,7,9,11H2,(H,20,23)
InChIKeyAZXTUOLTKAEIPV-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.61
Rot. Bonds3

About 4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one

4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one (PubChem CID 91627249) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one
PubChem CID91627249
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C18H16N4O3/c23-16-10-14(13-4-1-2-5-15(13)20-16)18(24)22-9-7-12(11-22)25-17-6-3-8-19-21-17/h1-6,8,10,12H,7,9,11H2,(H,20,23)
InChIKeyAZXTUOLTKAEIPV-UHFFFAOYSA-N
XLogP1.61
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one (CID 91627249) is 4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one is O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of 4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one?
The InChIKey is AZXTUOLTKAEIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-16-10-14(13-4-1-2-5-15(13)20-16)18(24)22-9-7-12(11-22)25-17-6-3-8-19-21-17/h1-6,8,10,12H,7,9,11H2,(H,20,23).
What are the key properties of 4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one?
4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one has a molecular weight of 336.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 91627249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).