3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one

C15H14FN3O2 — CID 6852122

IUPAC3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1CCc2cc(F)ccc2N1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H14FN3O2/c1-9-2-3-10-8-11(16)4-6-13(10)19(9)15(21)12-5-7-14(20)18-17-12/h4-9H,2-3H2,1H3,(H,18,20)
InChIKeyCLSRXLQDMCPHJI-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.89
Rot. Bonds1

About 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one

3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 6852122) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
PubChem CID6852122
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1CCc2cc(F)ccc2N1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H14FN3O2/c1-9-2-3-10-8-11(16)4-6-13(10)19(9)15(21)12-5-7-14(20)18-17-12/h4-9H,2-3H2,1H3,(H,18,20)
InChIKeyCLSRXLQDMCPHJI-UHFFFAOYSA-N
XLogP1.89
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one (CID 6852122) is 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one is CC1CCc2cc(F)ccc2N1C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is CLSRXLQDMCPHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-2-3-10-8-11(16)4-6-13(10)19(9)15(21)12-5-7-14(20)18-17-12/h4-9H,2-3H2,1H3,(H,18,20).
What are the key properties of 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one?
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 287.29 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 6852122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).