2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide

C32H37N3O3 — CID 42435423

IUPAC2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)N(CCN(C)C)Cc2cc3cccc(C)c3nc2-c2cccc(C)c2)c1
InChIInChI=1S/C32H37N3O3/c1-22-9-7-11-24(17-22)32-27(18-25-12-8-10-23(2)31(25)33-32)21-35(16-15-34(3)4)30(36)20-26-19-28(37-5)13-14-29(26)38-6/h7-14,17-19H,15-16,20-21H2,1-6H3
InChIKeyBEINXSPJKVJMRB-UHFFFAOYSA-N
MW511.67 g/mol
LogP5.67
Rot. Bonds10

About 2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide

2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide (PubChem CID 42435423) has the molecular formula C32H37N3O3 and a molecular weight of 511.67 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide
PubChem CID42435423
Molecular FormulaC32H37N3O3
Molecular Weight511.67 g/mol
Exact Mass511.28
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)N(CCN(C)C)Cc2cc3cccc(C)c3nc2-c2cccc(C)c2)c1
InChIInChI=1S/C32H37N3O3/c1-22-9-7-11-24(17-22)32-27(18-25-12-8-10-23(2)31(25)33-32)21-35(16-15-34(3)4)30(36)20-26-19-28(37-5)13-14-29(26)38-6/h7-14,17-19H,15-16,20-21H2,1-6H3
InChIKeyBEINXSPJKVJMRB-UHFFFAOYSA-N
XLogP5.67
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide with MolForge

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Related Compounds

1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine
CID 70779266
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]prop-2-enamide
CID 28634596
N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 29086533
N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide
CID 118758234
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide
CID 26342096
N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide
CID 56858761
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 29087125
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
CID 42328264
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 56855963
N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
CID 29153761
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[[2-(4-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]benzamide
CID 26339886
N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-[[2-(3-methylphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]pyrazole-3-carboxamide
CID 42480572

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide (CID 42435423) is 2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide is COc1ccc(OC)c(CC(=O)N(CCN(C)C)Cc2cc3cccc(C)c3nc2-c2cccc(C)c2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide?
The InChIKey is BEINXSPJKVJMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O3/c1-22-9-7-11-24(17-22)32-27(18-25-12-8-10-23(2)31(25)33-32)21-35(16-15-34(3)4)30(36)20-26-19-28(37-5)13-14-29(26)38-6/h7-14,17-19H,15-16,20-21H2,1-6H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide?
2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide has a molecular weight of 511.67 g/mol, XLogP of 5.67, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide is sourced from PubChem (CID 42435423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).