2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid

C15H12N4O2 — CID 106896431

IUPAC2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(NCc3cccnn3)ccc12
InChIInChI=1S/C15H12N4O2/c20-15(21)12-4-1-5-13-11(12)6-7-14(18-13)16-9-10-3-2-8-17-19-10/h1-8H,9H2,(H,16,18)(H,20,21)
InChIKeyBFCUPYXCVHZHQV-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.34
Rot. Bonds4

About 2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid

2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid (PubChem CID 106896431) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid
PubChem CID106896431
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(NCc3cccnn3)ccc12
InChIInChI=1S/C15H12N4O2/c20-15(21)12-4-1-5-13-11(12)6-7-14(18-13)16-9-10-3-2-8-17-19-10/h1-8H,9H2,(H,16,18)(H,20,21)
InChIKeyBFCUPYXCVHZHQV-UHFFFAOYSA-N
XLogP2.34
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid?
The IUPAC name of 2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid (CID 106896431) is 2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid.
What is the SMILES notation for 2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid?
The canonical SMILES for 2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid is O=C(O)c1cccc2nc(NCc3cccnn3)ccc12.
What is the InChIKey of 2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid?
The InChIKey is BFCUPYXCVHZHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-15(21)12-4-1-5-13-11(12)6-7-14(18-13)16-9-10-3-2-8-17-19-10/h1-8H,9H2,(H,16,18)(H,20,21).
What are the key properties of 2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid?
2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid has a molecular weight of 280.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid is sourced from PubChem (CID 106896431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).