3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione

C20H15N3O4 — CID 135521187

IUPAC3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione
SMILESCn1c(=O)c(C2=NN(c3ccccc3)C(=O)C(=O)C2)c(O)c2ccccc21
InChIInChI=1S/C20H15N3O4/c1-22-15-10-6-5-9-13(15)18(25)17(20(22)27)14-11-16(24)19(26)23(21-14)12-7-3-2-4-8-12/h2-10,25H,11H2,1H3
InChIKeyKNLQWPZRNZFXFY-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.95
Rot. Bonds2

About 3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione

3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione (PubChem CID 135521187) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione.

Molecular Properties

Compound Name3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione
PubChem CID135521187
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione
SMILESCn1c(=O)c(C2=NN(c3ccccc3)C(=O)C(=O)C2)c(O)c2ccccc21
InChIInChI=1S/C20H15N3O4/c1-22-15-10-6-5-9-13(15)18(25)17(20(22)27)14-11-16(24)19(26)23(21-14)12-7-3-2-4-8-12/h2-10,25H,11H2,1H3
InChIKeyKNLQWPZRNZFXFY-UHFFFAOYSA-N
XLogP1.95
TPSA91.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione?
The IUPAC name of 3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione (CID 135521187) is 3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione.
What is the SMILES notation for 3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione?
The canonical SMILES for 3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione is Cn1c(=O)c(C2=NN(c3ccccc3)C(=O)C(=O)C2)c(O)c2ccccc21.
What is the InChIKey of 3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione?
The InChIKey is KNLQWPZRNZFXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-22-15-10-6-5-9-13(15)18(25)17(20(22)27)14-11-16(24)19(26)23(21-14)12-7-3-2-4-8-12/h2-10,25H,11H2,1H3.
What are the key properties of 3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione?
3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione has a molecular weight of 361.36 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione is sourced from PubChem (CID 135521187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).