2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide

C22H19N3O2S — CID 7901259

IUPAC2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3cc(=O)[nH]c4ccccc34)n2)c(C)c1
InChIInChI=1S/C22H19N3O2S/c1-12-8-13(2)20(14(3)9-12)18-11-28-22(24-18)25-21(27)16-10-19(26)23-17-7-5-4-6-15(16)17/h4-11H,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyCJNUQDMFOAMZOO-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.83
Rot. Bonds3

About 2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide

2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide (PubChem CID 7901259) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide
PubChem CID7901259
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3cc(=O)[nH]c4ccccc34)n2)c(C)c1
InChIInChI=1S/C22H19N3O2S/c1-12-8-13(2)20(14(3)9-12)18-11-28-22(24-18)25-21(27)16-10-19(26)23-17-7-5-4-6-15(16)17/h4-11H,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyCJNUQDMFOAMZOO-UHFFFAOYSA-N
XLogP4.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 55468616
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 7901254
1-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2H-isoquinoline-3-carboxamide
CID 9022855
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 4787571
6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 46970234
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
2,3,4-trimethoxy-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8914262
3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7918438
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 31155584
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 26177070
2-methyl-3-nitro-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8914285
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 51321370

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide (CID 7901259) is 2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide is Cc1cc(C)c(-c2csc(NC(=O)c3cc(=O)[nH]c4ccccc34)n2)c(C)c1.
What is the InChIKey of 2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide?
The InChIKey is CJNUQDMFOAMZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-12-8-13(2)20(14(3)9-12)18-11-28-22(24-18)25-21(27)16-10-19(26)23-17-7-5-4-6-15(16)17/h4-11H,1-3H3,(H,23,26)(H,24,25,27).
What are the key properties of 2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide?
2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 7901259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).