2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide

C20H20N2O3 — CID 136533990

IUPAC2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide
SMILESCOc1cc(CNC(=O)c2ccc(C)cc2OC)c2ccccc2n1
InChIInChI=1S/C20H20N2O3/c1-13-8-9-16(18(10-13)24-2)20(23)21-12-14-11-19(25-3)22-17-7-5-4-6-15(14)17/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyMLEZSWNRAYVKAH-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.49
Rot. Bonds5

About 2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide

2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide (PubChem CID 136533990) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide
PubChem CID136533990
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide
SMILESCOc1cc(CNC(=O)c2ccc(C)cc2OC)c2ccccc2n1
InChIInChI=1S/C20H20N2O3/c1-13-8-9-16(18(10-13)24-2)20(23)21-12-14-11-19(25-3)22-17-7-5-4-6-15(14)17/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyMLEZSWNRAYVKAH-UHFFFAOYSA-N
XLogP3.49
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578050
2-(3,4-dimethoxyphenyl)-N-[(2-methoxyquinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 166214618
5-(methoxymethyl)-N-[(2-methoxyquinolin-4-yl)methyl]furan-2-carboxamide
CID 71998445
N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide
CID 102034384
N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 155949082
2-[(4-methylphenyl)methoxy]-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide
CID 22578077
N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1261953
N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578030
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578064
2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 22578012
3-[(2-methoxyquinolin-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122003996

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide?
The IUPAC name of 2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide (CID 136533990) is 2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for 2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide?
The canonical SMILES for 2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide is COc1cc(CNC(=O)c2ccc(C)cc2OC)c2ccccc2n1.
What is the InChIKey of 2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide?
The InChIKey is MLEZSWNRAYVKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-8-9-16(18(10-13)24-2)20(23)21-12-14-11-19(25-3)22-17-7-5-4-6-15(14)17/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of 2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide?
2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide has a molecular weight of 336.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 136533990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).