N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide

C22H19N3O4S — CID 55754430

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cc(=O)n(C)c4ccccc34)n2)c1
InChIInChI=1S/C22H19N3O4S/c1-25-18-7-5-4-6-14(18)15(11-20(25)26)21(27)24-22-23-17(12-30-22)16-10-13(28-2)8-9-19(16)29-3/h4-12H,1-3H3,(H,23,24,27)
InChIKeyWFPMXVDCZXEBHI-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.93
Rot. Bonds5

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55754430) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55754430
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cc(=O)n(C)c4ccccc34)n2)c1
InChIInChI=1S/C22H19N3O4S/c1-25-18-7-5-4-6-14(18)15(11-20(25)26)21(27)24-22-23-17(12-30-22)16-10-13(28-2)8-9-19(16)29-3/h4-12H,1-3H3,(H,23,24,27)
InChIKeyWFPMXVDCZXEBHI-UHFFFAOYSA-N
XLogP3.93
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 55754361
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 2102481
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylsulfonylbenzamide
CID 41028434
1-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methylindole-2-carboxamide
CID 110503524
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121023820
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide
CID 24594548
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 26242208
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2676581
2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide
CID 2114849
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16594915

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 55754430) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)c3cc(=O)n(C)c4ccccc34)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is WFPMXVDCZXEBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-25-18-7-5-4-6-14(18)15(11-20(25)26)21(27)24-22-23-17(12-30-22)16-10-13(28-2)8-9-19(16)29-3/h4-12H,1-3H3,(H,23,24,27).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55754430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).