2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one

C19H20F3N3O2 — CID 55581425

IUPAC2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)ccc1=O
InChIInChI=1S/C19H20F3N3O2/c1-2-3-11-25-17(26)9-7-15(23-25)18(27)24-10-4-5-13-12-14(19(20,21)22)6-8-16(13)24/h6-9,12H,2-5,10-11H2,1H3
InChIKeyHSSUTRWLYUZAGB-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.66
Rot. Bonds4

About 2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one

2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one (PubChem CID 55581425) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one
PubChem CID55581425
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)ccc1=O
InChIInChI=1S/C19H20F3N3O2/c1-2-3-11-25-17(26)9-7-15(23-25)18(27)24-10-4-5-13-12-14(19(20,21)22)6-8-16(13)24/h6-9,12H,2-5,10-11H2,1H3
InChIKeyHSSUTRWLYUZAGB-UHFFFAOYSA-N
XLogP3.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyridazin-3-one
CID 55337886
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one
CID 42162110
(5-methylimidazo[1,2-a]pyridin-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 55582024
1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 31483011
1-[[4-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 31843433
thiophen-3-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31843246
1-nonyl-6-oxopyridazine-3-carboxylic acid
CID 114695797
(3,4-dimethoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840202
(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840032
2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 79030504
5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one
CID 55639789

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one (CID 55581425) is 2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one is CCCCn1nc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)ccc1=O.
What is the InChIKey of 2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one?
The InChIKey is HSSUTRWLYUZAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-2-3-11-25-17(26)9-7-15(23-25)18(27)24-10-4-5-13-12-14(19(20,21)22)6-8-16(13)24/h6-9,12H,2-5,10-11H2,1H3.
What are the key properties of 2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one?
2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one has a molecular weight of 379.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 55581425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).