methyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate

C14H11N3O4 — CID 10517236

IUPACmethyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate
SMILESCOC(=O)c1c(C)nnc2c(=O)n(O)c3ccccc3c12
InChIInChI=1S/C14H11N3O4/c1-7-10(14(19)21-2)11-8-5-3-4-6-9(8)17(20)13(18)12(11)16-15-7/h3-6,20H,1-2H3
InChIKeyNWLMQHIMYPVVSY-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.28
Rot. Bonds1

About methyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate

methyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate (PubChem CID 10517236) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is methyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate
PubChem CID10517236
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Namemethyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate
SMILESCOC(=O)c1c(C)nnc2c(=O)n(O)c3ccccc3c12
InChIInChI=1S/C14H11N3O4/c1-7-10(14(19)21-2)11-8-5-3-4-6-9(8)17(20)13(18)12(11)16-15-7/h3-6,20H,1-2H3
InChIKeyNWLMQHIMYPVVSY-UHFFFAOYSA-N
XLogP1.28
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate?
The IUPAC name of methyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate (CID 10517236) is methyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate?
The canonical SMILES for methyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate is COC(=O)c1c(C)nnc2c(=O)n(O)c3ccccc3c12.
What is the InChIKey of methyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate?
The InChIKey is NWLMQHIMYPVVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c1-7-10(14(19)21-2)11-8-5-3-4-6-9(8)17(20)13(18)12(11)16-15-7/h3-6,20H,1-2H3.
What are the key properties of methyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate?
methyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate has a molecular weight of 285.26 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate is sourced from PubChem (CID 10517236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).