6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one

C16H15ClFN3O2 — CID 136548959

IUPAC6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one
SMILESCc1c(F)cc(Cl)c2c1CCCN2C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C16H15ClFN3O2/c1-9-10-4-3-7-21(15(10)11(17)8-12(9)18)16(23)13-5-6-14(22)20(2)19-13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyQAYFGIDTOVRFBN-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.47
Rot. Bonds1

About 6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one

6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one (PubChem CID 136548959) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is 6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one
PubChem CID136548959
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC Name6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one
SMILESCc1c(F)cc(Cl)c2c1CCCN2C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C16H15ClFN3O2/c1-9-10-4-3-7-21(15(10)11(17)8-12(9)18)16(23)13-5-6-14(22)20(2)19-13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyQAYFGIDTOVRFBN-UHFFFAOYSA-N
XLogP2.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one (CID 136548959) is 6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one is Cc1c(F)cc(Cl)c2c1CCCN2C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of 6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one?
The InChIKey is QAYFGIDTOVRFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c1-9-10-4-3-7-21(15(10)11(17)8-12(9)18)16(23)13-5-6-14(22)20(2)19-13/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one?
6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one has a molecular weight of 335.77 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloro-6-fluoro-5-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 136548959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).