2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide

C24H23N3O2S — CID 46301098

IUPAC2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(C(=O)Nc1nc(-c2ccc(C)cc2)cs1)n1c(=O)cc(C)c2ccccc21
InChIInChI=1S/C24H23N3O2S/c1-4-20(27-21-8-6-5-7-18(21)16(3)13-22(27)28)23(29)26-24-25-19(14-30-24)17-11-9-15(2)10-12-17/h5-14,20H,4H2,1-3H3,(H,25,26,29)
InChIKeyPVUMCDHBSJPWPV-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.33
Rot. Bonds5

About 2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide

2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 46301098) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID46301098
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(C(=O)Nc1nc(-c2ccc(C)cc2)cs1)n1c(=O)cc(C)c2ccccc21
InChIInChI=1S/C24H23N3O2S/c1-4-20(27-21-8-6-5-7-18(21)16(3)13-22(27)28)23(29)26-24-25-19(14-30-24)17-11-9-15(2)10-12-17/h5-14,20H,4H2,1-3H3,(H,25,26,29)
InChIKeyPVUMCDHBSJPWPV-UHFFFAOYSA-N
XLogP5.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide
CID 46301025
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069
2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 46305592
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
4-hydroxy-1-methyl-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 54687744
2-(2-methylindol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4050178
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304773
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 39765036
ethyl 2-[[5-amino-4-[1-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 46306575
2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 46306243
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19197245

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide (CID 46301098) is 2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide is CCC(C(=O)Nc1nc(-c2ccc(C)cc2)cs1)n1c(=O)cc(C)c2ccccc21.
What is the InChIKey of 2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is PVUMCDHBSJPWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-4-20(27-21-8-6-5-7-18(21)16(3)13-22(27)28)23(29)26-24-25-19(14-30-24)17-11-9-15(2)10-12-17/h5-14,20H,4H2,1-3H3,(H,25,26,29).
What are the key properties of 2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 417.53 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 46301098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).