4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide

C15H12N4O4 — CID 54689632

IUPAC4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)c(=O)[nH]n1
InChIInChI=1S/C15H12N4O4/c1-7-6-10(13(21)19-18-7)17-15(23)11-12(20)8-4-2-3-5-9(8)16-14(11)22/h2-6H,1H3,(H,19,21)(H2,16,20,22)(H,17,18,23)
InChIKeyPFNNPOKUNYTVSN-UHFFFAOYSA-N
MW312.29 g/mol
LogP0.88
Rot. Bonds2

About 4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide

4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54689632) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54689632
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)c(=O)[nH]n1
InChIInChI=1S/C15H12N4O4/c1-7-6-10(13(21)19-18-7)17-15(23)11-12(20)8-4-2-3-5-9(8)16-14(11)22/h2-6H,1H3,(H,19,21)(H2,16,20,22)(H,17,18,23)
InChIKeyPFNNPOKUNYTVSN-UHFFFAOYSA-N
XLogP0.88
TPSA127.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide (CID 54689632) is 4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide is Cc1cc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)c(=O)[nH]n1.
What is the InChIKey of 4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is PFNNPOKUNYTVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c1-7-6-10(13(21)19-18-7)17-15(23)11-12(20)8-4-2-3-5-9(8)16-14(11)22/h2-6H,1H3,(H,19,21)(H2,16,20,22)(H,17,18,23).
What are the key properties of 4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide?
4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54689632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).