N-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide

C24H22FN3O3S — CID 143007752

IUPACN-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(-c2cc3c(cc2F)c(=O)c2c(n3C3CC3)SCC2=O)cc1
InChIInChI=1S/C24H22FN3O3S/c1-27(2)11-21(30)26-14-5-3-13(4-6-14)16-10-19-17(9-18(16)25)23(31)22-20(29)12-32-24(22)28(19)15-7-8-15/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,26,30)
InChIKeyZUYALKOBJNVVMM-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.93
Rot. Bonds5

About N-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide

N-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide (PubChem CID 143007752) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is N-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide
PubChem CID143007752
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC NameN-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(-c2cc3c(cc2F)c(=O)c2c(n3C3CC3)SCC2=O)cc1
InChIInChI=1S/C24H22FN3O3S/c1-27(2)11-21(30)26-14-5-3-13(4-6-14)16-10-19-17(9-18(16)25)23(31)22-20(29)12-32-24(22)28(19)15-7-8-15/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,26,30)
InChIKeyZUYALKOBJNVVMM-UHFFFAOYSA-N
XLogP3.93
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide with MolForge

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Related Compounds

N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide
CID 73051603
2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8785485
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
2-(dimethylamino)-N-[4-[(4R)-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 141182507
6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylamino]phenyl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 67880065
9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one
CID 58092837
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729092
2-(dimethylamino)-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide
CID 82245947
9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 11531250
1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713846
2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 79119762

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide (CID 143007752) is N-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1ccc(-c2cc3c(cc2F)c(=O)c2c(n3C3CC3)SCC2=O)cc1.
What is the InChIKey of N-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide?
The InChIKey is ZUYALKOBJNVVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c1-27(2)11-21(30)26-14-5-3-13(4-6-14)16-10-19-17(9-18(16)25)23(31)22-20(29)12-32-24(22)28(19)15-7-8-15/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,26,30).
What are the key properties of N-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide?
N-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide has a molecular weight of 451.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-cyclopropyl-6-fluoro-3,4-dioxothieno[2,3-b]quinolin-7-yl)phenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 143007752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).