N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C20H20N2O2S — CID 4893298

IUPACN-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1csc2c1CCCC2
InChIInChI=1S/C20H20N2O2S/c1-22(20(24)16-12-25-18-9-5-3-7-15(16)18)11-13-10-19(23)21-17-8-4-2-6-14(13)17/h2,4,6,8,10,12H,3,5,7,9,11H2,1H3,(H,21,23)
InChIKeyZCHKFKHGBQYMBC-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.74
Rot. Bonds3

About N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 4893298) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID4893298
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1csc2c1CCCC2
InChIInChI=1S/C20H20N2O2S/c1-22(20(24)16-12-25-18-9-5-3-7-15(16)18)11-13-10-19(23)21-17-8-4-2-6-14(13)17/h2,4,6,8,10,12H,3,5,7,9,11H2,1H3,(H,21,23)
InChIKeyZCHKFKHGBQYMBC-UHFFFAOYSA-N
XLogP3.74
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5262629
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 9270290
N-(2-hydroxypropyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55060823
3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 4969773
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 7555926
3-(2,5-dimethylphenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749594
3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749466
N-methyl-4-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
CID 50739637
N-methyl-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
CID 4969904
N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide
CID 1169748
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylacetamide
CID 664652

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 4893298) is N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1csc2c1CCCC2.
What is the InChIKey of N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is ZCHKFKHGBQYMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-22(20(24)16-12-25-18-9-5-3-7-15(16)18)11-13-10-19(23)21-17-8-4-2-6-14(13)17/h2,4,6,8,10,12H,3,5,7,9,11H2,1H3,(H,21,23).
What are the key properties of N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 4893298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).