N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide

C24H22N2O3S — CID 53326431

IUPACN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3cccc(C)c3)cc2c1
InChIInChI=1S/C24H22N2O3S/c1-16-5-3-6-17(11-16)24(28)26(15-21-7-4-10-30-21)14-19-12-18-13-20(29-2)8-9-22(18)25-23(19)27/h3-13H,14-15H2,1-2H3,(H,25,27)
InChIKeyFLPPSTUKBVXUNR-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.75
Rot. Bonds6

About N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 53326431) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID53326431
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3cccc(C)c3)cc2c1
InChIInChI=1S/C24H22N2O3S/c1-16-5-3-6-17(11-16)24(28)26(15-21-7-4-10-30-21)14-19-12-18-13-20(29-2)8-9-22(18)25-23(19)27/h3-13H,14-15H2,1-2H3,(H,25,27)
InChIKeyFLPPSTUKBVXUNR-UHFFFAOYSA-N
XLogP4.75
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-(7-Methoxy-1-naphthalenyl)-1-piperazinyl)ethyl)-2-thiophenecarboxamide
CID 131907
3-Butoxy-N-(4-methoxyphenyl)-N-[(thiophen-2-YL)methyl]benzamide
CID 16015934
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155560516
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 946539
N-{2-[(2-methoxyanilino)carbonyl]phenyl}-2-thiophenecarboxamide
CID 1116978
3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 2469877
Flaviviruses-IN-2
CID 3378615
N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9426403
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59761459
5-(3-Methoxyphenyl)-N-methyl-N-m-tolylthiophene-2-carboxamide
CID 60196810
5-(2-fluoro-3-methoxyphenyl)-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 60196812
5-(3-Methoxyphenyl)-N-methyl-N-(3-(trifluoromethyl)phenyl)thiophene-2-carboxamide
CID 60196815

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 53326431) is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide is COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3cccc(C)c3)cc2c1.
What is the InChIKey of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is FLPPSTUKBVXUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-16-5-3-6-17(11-16)24(28)26(15-21-7-4-10-30-21)14-19-12-18-13-20(29-2)8-9-22(18)25-23(19)27/h3-13H,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide?
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 53326431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).