6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C24H19F3N4O2 — CID 39317701

IUPAC6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCc2cccc3cccnc23)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C24H19F3N4O2/c1-15-14-20(32)22(30-31(15)19-10-3-2-9-18(19)24(25,26)27)23(33)29-13-11-17-7-4-6-16-8-5-12-28-21(16)17/h2-10,12,14H,11,13H2,1H3,(H,29,33)
InChIKeyODKHKWGJXBDKPF-UHFFFAOYSA-N
MW452.44 g/mol
LogP4.08
Rot. Bonds5

About 6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 39317701) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID39317701
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC Name6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCc2cccc3cccnc23)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C24H19F3N4O2/c1-15-14-20(32)22(30-31(15)19-10-3-2-9-18(19)24(25,26)27)23(33)29-13-11-17-7-4-6-16-8-5-12-28-21(16)17/h2-10,12,14H,11,13H2,1H3,(H,29,33)
InChIKeyODKHKWGJXBDKPF-UHFFFAOYSA-N
XLogP4.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[2-(methylamino)ethyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119499946
N-(2-aminoethyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 119382037
N-[2-[(2-fluorobenzoyl)amino]ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55974052
N-(3-aminobutyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 119494839
6-methyl-4-oxo-N-(2-phenylsulfanylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 18208505
N-(2-hydroxypropyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78855377
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 56558876
6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 48731183
N-[2-(cyclohexanecarbonylamino)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55805670
6-methyl-N-[(2-nitrophenyl)methyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55798724
N-(furan-2-ylmethyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8867854
6-methyl-4-oxo-N-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 51239028

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 39317701) is 6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCc2cccc3cccnc23)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is ODKHKWGJXBDKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c1-15-14-20(32)22(30-31(15)19-10-3-2-9-18(19)24(25,26)27)23(33)29-13-11-17-7-4-6-16-8-5-12-28-21(16)17/h2-10,12,14H,11,13H2,1H3,(H,29,33).
What are the key properties of 6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 452.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 39317701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).