N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

C23H20N2O2S — CID 1261953

IUPACN-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12
InChIInChI=1S/C23H20N2O2S/c1-15-11-12-22(28-15)20-13-18(17-8-4-5-9-19(17)25-20)23(26)24-14-16-7-3-6-10-21(16)27-2/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyJYTDUBXUVYTGND-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.21
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (PubChem CID 1261953) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
PubChem CID1261953
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12
InChIInChI=1S/C23H20N2O2S/c1-15-11-12-22(28-15)20-13-18(17-8-4-5-9-19(17)25-20)23(26)24-14-16-7-3-6-10-21(16)27-2/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyJYTDUBXUVYTGND-UHFFFAOYSA-N
XLogP5.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578050
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15988959
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 50779202
N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1257051
6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 46291475
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 46323365
N-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798396
2-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 4225926
2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 4137703
2-methoxy-N-[(2-methoxyphenyl)methyl]-3,5-dimethylbenzamide
CID 110762822
2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779249

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (CID 1261953) is N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is COc1ccccc1CNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The InChIKey is JYTDUBXUVYTGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-15-11-12-22(28-15)20-13-18(17-8-4-5-9-19(17)25-20)23(26)24-14-16-7-3-6-10-21(16)27-2/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1261953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).