N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide

C28H28N2O3 — CID 112790465

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c(OC)c1
InChIInChI=1S/C28H28N2O3/c1-19-24(17-27(31)30(2)18-21-14-15-22(32-3)16-26(21)33-4)28(20-10-6-5-7-11-20)23-12-8-9-13-25(23)29-19/h5-16H,17-18H2,1-4H3
InChIKeyOPSPDDNYAJPCFK-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.43
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide (PubChem CID 112790465) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
PubChem CID112790465
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c(OC)c1
InChIInChI=1S/C28H28N2O3/c1-19-24(17-27(31)30(2)18-21-14-15-22(32-3)16-26(21)33-4)28(20-10-6-5-7-11-20)23-12-8-9-13-25(23)29-19/h5-16H,17-18H2,1-4H3
InChIKeyOPSPDDNYAJPCFK-UHFFFAOYSA-N
XLogP5.43
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylquinolin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 17471505
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 25496428
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112761999
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 18229343
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 39273650
N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32893963
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 112790494

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide (CID 112790465) is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide is COc1ccc(CN(C)C(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
The InChIKey is OPSPDDNYAJPCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-19-24(17-27(31)30(2)18-21-14-15-22(32-3)16-26(21)33-4)28(20-10-6-5-7-11-20)23-12-8-9-13-25(23)29-19/h5-16H,17-18H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide has a molecular weight of 440.54 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide is sourced from PubChem (CID 112790465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).