2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide

C24H22N6O3S — CID 135221871

IUPAC2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4Cc3cccnn3)cs2)o1
InChIInChI=1S/C24H22N6O3S/c1-3-20-26-14(2)22(33-20)23(32)28-24-27-18(13-34-24)15-6-8-19-16(11-15)7-9-21(31)30(19)12-17-5-4-10-25-29-17/h4-6,8,10-11,13H,3,7,9,12H2,1-2H3,(H,27,28,32)
InChIKeyXYHJYJFCUAAZJV-UHFFFAOYSA-N
MW474.55 g/mol
LogP4.19
Rot. Bonds6

About 2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide (PubChem CID 135221871) has the molecular formula C24H22N6O3S and a molecular weight of 474.55 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
PubChem CID135221871
Molecular FormulaC24H22N6O3S
Molecular Weight474.55 g/mol
Exact Mass474.15
IUPAC Name2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4Cc3cccnn3)cs2)o1
InChIInChI=1S/C24H22N6O3S/c1-3-20-26-14(2)22(33-20)23(32)28-24-27-18(13-34-24)15-6-8-19-16(11-15)7-9-21(31)30(19)12-17-5-4-10-25-29-17/h4-6,8,10-11,13H,3,7,9,12H2,1-2H3,(H,27,28,32)
InChIKeyXYHJYJFCUAAZJV-UHFFFAOYSA-N
XLogP4.19
TPSA114.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 135232535
N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 135221781
2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 135234622
1-ethyl-3,5-dimethyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 135221817
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 53262914
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 24761960
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 53348009
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 53347968
N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 122589319
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 35848049
1-(pyridin-2-ylmethyl)-7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 54323077
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide
CID 1383828

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide (CID 135221871) is 2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4Cc3cccnn3)cs2)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is XYHJYJFCUAAZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3S/c1-3-20-26-14(2)22(33-20)23(32)28-24-27-18(13-34-24)15-6-8-19-16(11-15)7-9-21(31)30(19)12-17-5-4-10-25-29-17/h4-6,8,10-11,13H,3,7,9,12H2,1-2H3,(H,27,28,32).
What are the key properties of 2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 474.55 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 135221871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).