N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide

C23H20N2O3S — CID 3296261

IUPACN-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccs2)cc1
InChIInChI=1S/C23H20N2O3S/c1-15-5-3-6-16-13-17(22(26)24-21(15)16)14-25(23(27)20-7-4-12-29-20)18-8-10-19(28-2)11-9-18/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyOZOZFQJGZNWMAS-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.75
Rot. Bonds5

About N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide

N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 3296261) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID3296261
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccs2)cc1
InChIInChI=1S/C23H20N2O3S/c1-15-5-3-6-16-13-17(22(26)24-21(15)16)14-25(23(27)20-7-4-12-29-20)18-8-10-19(28-2)11-9-18/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyOZOZFQJGZNWMAS-UHFFFAOYSA-N
XLogP4.75
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1421798
4-methoxy-N-(3-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1422005
N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1418449
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 110324370
2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzamide
CID 17096505
N-(3,4-dimethylphenyl)-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1410281
N-(4-ethoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 1395368
N-(4-methoxyphenyl)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1415542
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 42852782
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylfuran-2-carboxamide
CID 1382192
3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1386980
N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 1396662

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (CID 3296261) is N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is OZOZFQJGZNWMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-15-5-3-6-16-13-17(22(26)24-21(15)16)14-25(23(27)20-7-4-12-29-20)18-8-10-19(28-2)11-9-18/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 3296261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).